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

C189H189F9O24S9 — CID 159246037

IUPAC2-[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
SMILESCC1CC(O)C(O)C(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.CC1CC(O)CC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.CC1CCC(O)C(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.CC1OC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)C(O)CC1O.CC1OC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)CC(O)C1O.CC1OC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)CCC1O.OCC1CC(O)CC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.OCC1CCC(O)C(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.OCC1OC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)CCC1O
InChIInChI=1S/6C21H21FO3S.3C21H21FO2S/c1-12-21(24)18(23)11-19(25-12)13-6-7-17(22)15(8-13)10-16-9-14-4-2-3-5-20(14)26-16;1-12-18(23)11-19(24)21(25-12)14-6-7-17(22)15(8-14)10-16-9-13-4-2-3-5-20(13)26-16;1-12-8-18(23)20(24)21(25-12)14-6-7-17(22)15(9-14)11-16-10-13-4-2-3-5-19(13)26-16;22-18-7-5-14(21-19(24)8-6-16(12-23)25-21)9-15(18)11-17-10-13-3-1-2-4-20(13)26-17;22-19-6-5-13(20-11-16(24)10-17(12-23)25-20)7-15(19)9-18-8-14-3-1-2-4-21(14)26-18;22-17-6-5-13(19-8-7-18(24)20(12-23)25-19)9-15(17)11-16-10-14-3-1-2-4-21(14)26-16;1-13-6-9-19(23)21(24-13)15-7-8-18(22)16(10-15)12-17-11-14-4-2-3-5-20(14)25-17;1-13-8-17(23)12-20(24-13)14-6-7-19(22)16(9-14)11-18-10-15-4-2-3-5-21(15)25-18;1-13-19(23)8-9-20(24-13)14-6-7-18(22)16(10-14)12-17-11-15-4-2-3-5-21(15)25-17/h2*2-9,12,18-19,21,23-24H,10-11H2,1H3;2-7,9-10,12,18,20-21,23-24H,8,11H2,1H3;1-5,7,9-10,16,19,21,23-24H,6,8,11-12H2;1-8,16-17,20,23-24H,9-12H2;1-6,9-10,18-20,23-24H,7-8,11-12H2;2-5,7-8,10-11,13,19,21,23H,6,9,12H2,1H3;2-7,9-10,13,17,20,23H,8,11-12H2,1H3;2-7,10-11,13,19-20,23H,8-9,12H2,1H3
InChIKeyKURSGQWBTCUPNP-UHFFFAOYSA-N
MW3304.15 g/mol
LogP40.92
Rot. Bonds30

About 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

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 (PubChem CID 159246037) has the molecular formula C189H189F9O24S9 and a molecular weight of 3304.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159246037
Molecular FormulaC189H189F9O24S9
Molecular Weight3304.15 g/mol
Exact Mass3301.09
IUPAC Name2-[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
SMILESCC1CC(O)C(O)C(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.CC1CC(O)CC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.CC1CCC(O)C(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.CC1OC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)C(O)CC1O.CC1OC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)CC(O)C1O.CC1OC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)CCC1O.OCC1CC(O)CC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.OCC1CCC(O)C(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.OCC1OC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)CCC1O
InChIInChI=1S/6C21H21FO3S.3C21H21FO2S/c1-12-21(24)18(23)11-19(25-12)13-6-7-17(22)15(8-13)10-16-9-14-4-2-3-5-20(14)26-16;1-12-18(23)11-19(24)21(25-12)14-6-7-17(22)15(8-14)10-16-9-13-4-2-3-5-20(13)26-16;1-12-8-18(23)20(24)21(25-12)14-6-7-17(22)15(9-14)11-16-10-13-4-2-3-5-19(13)26-16;22-18-7-5-14(21-19(24)8-6-16(12-23)25-21)9-15(18)11-17-10-13-3-1-2-4-20(13)26-17;22-19-6-5-13(20-11-16(24)10-17(12-23)25-20)7-15(19)9-18-8-14-3-1-2-4-21(14)26-18;22-17-6-5-13(19-8-7-18(24)20(12-23)25-19)9-15(17)11-16-10-14-3-1-2-4-21(14)26-16;1-13-6-9-19(23)21(24-13)15-7-8-18(22)16(10-15)12-17-11-14-4-2-3-5-20(14)25-17;1-13-8-17(23)12-20(24-13)14-6-7-19(22)16(9-14)11-18-10-15-4-2-3-5-21(15)25-18;1-13-19(23)8-9-20(24-13)14-6-7-18(22)16(10-14)12-17-11-15-4-2-3-5-21(15)25-17/h2*2-9,12,18-19,21,23-24H,10-11H2,1H3;2-7,9-10,12,18,20-21,23-24H,8,11H2,1H3;1-5,7,9-10,16,19,21,23-24H,6,8,11-12H2;1-8,16-17,20,23-24H,9-12H2;1-6,9-10,18-20,23-24H,7-8,11-12H2;2-5,7-8,10-11,13,19,21,23H,6,9,12H2,1H3;2-7,9-10,13,17,20,23H,8,11-12H2,1H3;2-7,10-11,13,19-20,23H,8-9,12H2,1H3
InChIKeyKURSGQWBTCUPNP-UHFFFAOYSA-N
XLogP40.92
TPSA386.52 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003304.15
LogP ≤ 540.92
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

Analyze 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 with MolForge

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Related Compounds

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
(2S,3S,4S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxane-3,4-diol
CID 118973870
(5R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,5-diol
CID 126639321
(5S)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,5-diol
CID 174020793
2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)-3-methyloxan-4-ol
CID 118457936
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
(2R,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methyloxan-4-one
CID 118973868
[(2R,3S,4R,5R,6S)-6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (2S)-pyrrolidine-2-carboxylate
CID 131698388
(2S,3R,4S,6S)-2-[5-(1-benzothiophen-2-ylmethyl)-2,4-dihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 90388145
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
2-[5-(1-benzothiophen-2-ylmethyl)-2-hydroxy-4-(trifluoromethyl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 123140129
(2S,3R,4R,5R,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-chlorophenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 23725182

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(O)C(O)C(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.CC1CC(O)CC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.CC1CCC(O)C(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.CC1OC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)C(O)CC1O.CC1OC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)CC(O)C1O.CC1OC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)CCC1O.OCC1CC(O)CC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.OCC1CCC(O)C(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O1.OCC1OC(c2ccc(F)c(Cc3cc4ccccc4s3)c2)CCC1O.
What is the InChIKey of 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?
The InChIKey is KURSGQWBTCUPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/6C21H21FO3S.3C21H21FO2S/c1-12-21(24)18(23)11-19(25-12)13-6-7-17(22)15(8-13)10-16-9-14-4-2-3-5-20(14)26-16;1-12-18(23)11-19(24)21(25-12)14-6-7-17(22)15(8-14)10-16-9-13-4-2-3-5-20(13)26-16;1-12-8-18(23)20(24)21(25-12)14-6-7-17(22)15(9-14)11-16-10-13-4-2-3-5-19(13)26-16;22-18-7-5-14(21-19(24)8-6-16(12-23)25-21)9-15(18)11-17-10-13-3-1-2-4-20(13)26-17;22-19-6-5-13(20-11-16(24)10-17(12-23)25-20)7-15(19)9-18-8-14-3-1-2-4-21(14)26-18;22-17-6-5-13(19-8-7-18(24)20(12-23)25-19)9-15(17)11-16-10-14-3-1-2-4-21(14)26-16;1-13-6-9-19(23)21(24-13)15-7-8-18(22)16(10-15)12-17-11-14-4-2-3-5-20(14)25-17;1-13-8-17(23)12-20(24-13)14-6-7-19(22)16(9-14)11-18-10-15-4-2-3-5-21(15)25-18;1-13-19(23)8-9-20(24-13)14-6-7-18(22)16(10-14)12-17-11-15-4-2-3-5-21(15)25-17/h2*2-9,12,18-19,21,23-24H,10-11H2,1H3;2-7,9-10,12,18,20-21,23-24H,8,11H2,1H3;1-5,7,9-10,16,19,21,23-24H,6,8,11-12H2;1-8,16-17,20,23-24H,9-12H2;1-6,9-10,18-20,23-24H,7-8,11-12H2;2-5,7-8,10-11,13,19,21,23H,6,9,12H2,1H3;2-7,9-10,13,17,20,23H,8,11-12H2,1H3;2-7,10-11,13,19-20,23H,8-9,12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 3304.15 g/mol, XLogP of 40.92, 30 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159246037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).