2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol

C180H204Cl6F2O37S2 — CID 158757965

IUPAC2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol
SMILESCC1CC(O)C(O)C(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)O1.CC1CCCC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.CC1OC(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)C(O)C(O)C1O.CC1OC(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)C(O)CC1O.OCC1CC(O)C(O)C(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)O1.OCC1CCCC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.OCC1OC(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)C(O)CC1O.OCC1OC(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)CC(O)C1O
InChIInChI=1S/4C23H27ClO6.2C23H27ClO5.C21H21FO2S.C21H21FOS/c1-13-20(25)21(26)22(27)23(29-13)15-4-7-19(24)16(11-15)10-14-2-5-17(6-3-14)30-18-8-9-28-12-18;24-20-6-3-15(23-22(27)21(26)11-19(12-25)30-23)10-16(20)9-14-1-4-17(5-2-14)29-18-7-8-28-13-18;24-19-6-3-15(23-21(27)11-20(26)22(12-25)30-23)10-16(19)9-14-1-4-17(5-2-14)29-18-7-8-28-13-18;24-19-6-3-15(21-11-20(26)23(27)22(12-25)30-21)10-16(19)9-14-1-4-17(5-2-14)29-18-7-8-28-13-18;1-14-21(25)12-22(26)23(28-14)16-4-7-20(24)17(11-16)10-15-2-5-18(6-3-15)29-19-8-9-27-13-19;1-14-10-21(25)22(26)23(28-14)16-4-7-20(24)17(12-16)11-15-2-5-18(6-3-15)29-19-8-9-27-13-19;22-19-9-8-14(20-6-3-5-17(13-23)24-20)10-16(19)12-18-11-15-4-1-2-7-21(15)25-18;1-14-5-4-7-20(23-14)15-9-10-19(22)17(11-15)13-18-12-16-6-2-3-8-21(16)24-18/h2-7,11,13,18,20-23,25-27H,8-10,12H2,1H3;1-6,10,18-19,21-23,25-27H,7-9,11-13H2;2*1-6,10,18,20-23,25-27H,7-9,11-13H2;2-7,11,14,19,21-23,25-26H,8-10,12-13H2,1H3;2-7,12,14,19,21-23,25-26H,8-11,13H2,1H3;1-2,4,7-11,17,20,23H,3,5-6,12-13H2;2-3,6,8-12,14,20H,4-5,7,13H2,1H3/t13?,18-,20?,21?,22?,23?;18-,19?,21?,22?,23?;2*18-,20?,21?,22?,23?;2*14?,19-,21?,22?,23?;;/m000000../s1
InChIKeyIOHPQXBONRNSEL-CVQOBECHSA-N
MW3274.42 g/mol
LogP29.40
Rot. Bonds40

About 2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol

2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol (PubChem CID 158757965) has the molecular formula C180H204Cl6F2O37S2 and a molecular weight of 3274.42 g/mol. Its IUPAC name is 2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol
PubChem CID158757965
Molecular FormulaC180H204Cl6F2O37S2
Molecular Weight3274.42 g/mol
Exact Mass3269.16
IUPAC Name2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol
SMILESCC1CC(O)C(O)C(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)O1.CC1CCCC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.CC1OC(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)C(O)C(O)C1O.CC1OC(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)C(O)CC1O.OCC1CC(O)C(O)C(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)O1.OCC1CCCC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.OCC1OC(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)C(O)CC1O.OCC1OC(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)CC(O)C1O
InChIInChI=1S/4C23H27ClO6.2C23H27ClO5.C21H21FO2S.C21H21FOS/c1-13-20(25)21(26)22(27)23(29-13)15-4-7-19(24)16(11-15)10-14-2-5-17(6-3-14)30-18-8-9-28-12-18;24-20-6-3-15(23-22(27)21(26)11-19(12-25)30-23)10-16(20)9-14-1-4-17(5-2-14)29-18-7-8-28-13-18;24-19-6-3-15(23-21(27)11-20(26)22(12-25)30-23)10-16(19)9-14-1-4-17(5-2-14)29-18-7-8-28-13-18;24-19-6-3-15(21-11-20(26)23(27)22(12-25)30-21)10-16(19)9-14-1-4-17(5-2-14)29-18-7-8-28-13-18;1-14-21(25)12-22(26)23(28-14)16-4-7-20(24)17(11-16)10-15-2-5-18(6-3-15)29-19-8-9-27-13-19;1-14-10-21(25)22(26)23(28-14)16-4-7-20(24)17(12-16)11-15-2-5-18(6-3-15)29-19-8-9-27-13-19;22-19-9-8-14(20-6-3-5-17(13-23)24-20)10-16(19)12-18-11-15-4-1-2-7-21(15)25-18;1-14-5-4-7-20(23-14)15-9-10-19(22)17(11-15)13-18-12-16-6-2-3-8-21(16)24-18/h2-7,11,13,18,20-23,25-27H,8-10,12H2,1H3;1-6,10,18-19,21-23,25-27H,7-9,11-13H2;2*1-6,10,18,20-23,25-27H,7-9,11-13H2;2-7,11,14,19,21-23,25-26H,8-10,12-13H2,1H3;2-7,12,14,19,21-23,25-26H,8-11,13H2,1H3;1-2,4,7-11,17,20,23H,3,5-6,12-13H2;2-3,6,8-12,14,20H,4-5,7,13H2,1H3/t13?,18-,20?,21?,22?,23?;18-,19?,21?,22?,23?;2*18-,20?,21?,22?,23?;2*14?,19-,21?,22?,23?;;/m000000../s1
InChIKeyIOHPQXBONRNSEL-CVQOBECHSA-N
XLogP29.40
TPSA528.51 Ų
H-Bond Donors17
H-Bond Acceptors39
Rotatable Bonds40
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003274.42
LogP ≤ 529.40
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1039

Analyze 2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol with MolForge

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Related Compounds

2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane-3,4,5-triol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-2-(hydroxymethyl)oxane-3,4-diol
CID 159351916
2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxan-3-ol;2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxan-4-ol;6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-2-(hydroxymethyl)oxan-3-ol;2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane-3,4-diol;2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane-3,5-diol;6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-2-methyloxane-3,4-diol;2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxan-3-ol;2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxan-4-ol;6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-2-methyloxan-3-ol
CID 159246037
2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol
CID 118457957
6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-(hydroxymethyl)oxan-3-ol;2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-methyloxane-3,4,5-triol
CID 161005413
(2R,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91827936
(2S,3R,5S,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71085532
2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)-4-methyloxane-3,5-diol
CID 123979921
(3R)-6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-methyloxane-3,4-diol
CID 126639439
(5R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,5-diol
CID 126639321
(2S,3S,4S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane-3,4-diol
CID 118973870
(5S)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,5-diol
CID 174020793
(3R,4R,5S,6R)-2-[4-chloro-3-[(4-cyclopentyloxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;3-methoxyoxolane
CID 157117992

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol?
The IUPAC name of 2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol (CID 158757965) is 2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol.
What is the SMILES notation for 2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol?
The canonical SMILES for 2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol is CC1CC(O)C(O)C(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)O1.CC1CCCC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.CC1OC(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)C(O)C(O)C1O.CC1OC(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)C(O)CC1O.OCC1CC(O)C(O)C(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)O1.OCC1CCCC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.OCC1OC(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)C(O)CC1O.OCC1OC(c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)CC(O)C1O.
What is the InChIKey of 2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol?
The InChIKey is IOHPQXBONRNSEL-CVQOBECHSA-N. The full InChI is InChI=1S/4C23H27ClO6.2C23H27ClO5.C21H21FO2S.C21H21FOS/c1-13-20(25)21(26)22(27)23(29-13)15-4-7-19(24)16(11-15)10-14-2-5-17(6-3-14)30-18-8-9-28-12-18;24-20-6-3-15(23-22(27)21(26)11-19(12-25)30-23)10-16(20)9-14-1-4-17(5-2-14)29-18-7-8-28-13-18;24-19-6-3-15(23-21(27)11-20(26)22(12-25)30-23)10-16(19)9-14-1-4-17(5-2-14)29-18-7-8-28-13-18;24-19-6-3-15(21-11-20(26)23(27)22(12-25)30-21)10-16(19)9-14-1-4-17(5-2-14)29-18-7-8-28-13-18;1-14-21(25)12-22(26)23(28-14)16-4-7-20(24)17(11-16)10-15-2-5-18(6-3-15)29-19-8-9-27-13-19;1-14-10-21(25)22(26)23(28-14)16-4-7-20(24)17(12-16)11-15-2-5-18(6-3-15)29-19-8-9-27-13-19;22-19-9-8-14(20-6-3-5-17(13-23)24-20)10-16(19)12-18-11-15-4-1-2-7-21(15)25-18;1-14-5-4-7-20(23-14)15-9-10-19(22)17(11-15)13-18-12-16-6-2-3-8-21(16)24-18/h2-7,11,13,18,20-23,25-27H,8-10,12H2,1H3;1-6,10,18-19,21-23,25-27H,7-9,11-13H2;2*1-6,10,18,20-23,25-27H,7-9,11-13H2;2-7,11,14,19,21-23,25-26H,8-10,12-13H2,1H3;2-7,12,14,19,21-23,25-26H,8-11,13H2,1H3;1-2,4,7-11,17,20,23H,3,5-6,12-13H2;2-3,6,8-12,14,20H,4-5,7,13H2,1H3/t13?,18-,20?,21?,22?,23?;18-,19?,21?,22?,23?;2*18-,20?,21?,22?,23?;2*14?,19-,21?,22?,23?;;/m000000../s1.
What are the key properties of 2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol?
2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol has a molecular weight of 3274.42 g/mol, XLogP of 29.40, 40 rotatable bonds, 17 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane;[6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]oxan-2-yl]methanol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol;6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-(hydroxymethyl)oxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,5-diol;2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 158757965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).