2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol

C68H82O13 — CID 158404911

IUPAC2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol
SMILESCCCOc1ccc([C@@H]2COc3c(c(OC)cc4c3CCC(C)(C)O4)C2)c(O)c1.CCOc1ccc([C@@H]2COc3c(c(OC)cc4c3CCC(C)(C)O4)C2)c(O)c1.Cc1ccc([C@@H]2COc3c(ccc4c3CCC(C)(C)O4)C2)c(O)c1
InChIInChI=1S/C24H30O5.C23H28O5.C21H24O3/c1-5-10-27-16-6-7-17(20(25)12-16)15-11-19-21(26-4)13-22-18(23(19)28-14-15)8-9-24(2,3)29-22;1-5-26-15-6-7-16(19(24)11-15)14-10-18-20(25-4)12-21-17(22(18)27-13-14)8-9-23(2,3)28-21;1-13-4-6-16(18(22)10-13)15-11-14-5-7-19-17(20(14)23-12-15)8-9-21(2,3)24-19/h6-7,12-13,15,25H,5,8-11,14H2,1-4H3;6-7,11-12,14,24H,5,8-10,13H2,1-4H3;4-7,10,15,22H,8-9,11-12H2,1-3H3/t15-;14-;15-/m000/s1
InChIKeyGYOFXMADCDIHDM-TYNGHCNFSA-N
MW1107.39 g/mol
LogP14.16
Rot. Bonds10

About 2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol

2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol (PubChem CID 158404911) has the molecular formula C68H82O13 and a molecular weight of 1107.39 g/mol. Its IUPAC name is 2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol
PubChem CID158404911
Molecular FormulaC68H82O13
Molecular Weight1107.39 g/mol
Exact Mass1106.58
IUPAC Name2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol
SMILESCCCOc1ccc([C@@H]2COc3c(c(OC)cc4c3CCC(C)(C)O4)C2)c(O)c1.CCOc1ccc([C@@H]2COc3c(c(OC)cc4c3CCC(C)(C)O4)C2)c(O)c1.Cc1ccc([C@@H]2COc3c(ccc4c3CCC(C)(C)O4)C2)c(O)c1
InChIInChI=1S/C24H30O5.C23H28O5.C21H24O3/c1-5-10-27-16-6-7-17(20(25)12-16)15-11-19-21(26-4)13-22-18(23(19)28-14-15)8-9-24(2,3)29-22;1-5-26-15-6-7-16(19(24)11-15)14-10-18-20(25-4)12-21-17(22(18)27-13-14)8-9-23(2,3)28-21;1-13-4-6-16(18(22)10-13)15-11-14-5-7-19-17(20(14)23-12-15)8-9-21(2,3)24-19/h6-7,12-13,15,25H,5,8-11,14H2,1-4H3;6-7,11-12,14,24H,5,8-10,13H2,1-4H3;4-7,10,15,22H,8-9,11-12H2,1-3H3/t15-;14-;15-/m000/s1
InChIKeyGYOFXMADCDIHDM-TYNGHCNFSA-N
XLogP14.16
TPSA152.99 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001107.39
LogP ≤ 514.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol;4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-ethoxyphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethylphenol;2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylphenol
CID 167702494
2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-propylphenol
CID 91820692
4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol
CID 152894090
5-ethoxy-2-(5,8,8-trimethyl-2,3,4,7,9,10-hexahydrobenzo[h]chromen-3-yl)phenol
CID 134419080
5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol
CID 148992994
3-(3,4-dimethyl-2-nitrosophenyl)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromene
CID 134418724
6-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-pentoxycyclohexa-1,3-dien-1-ol
CID 163653111
2-(3,3-dimethyl-1,2,7,8,9,10-hexahydrobenzo[f]chromen-8-yl)-5-methylbenzonitrile
CID 137445709
3-(4-butoxy-2-phenylmethoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromene
CID 137440399
4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane
CID 155725213
7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 10176661
(2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 162857768

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol?
The IUPAC name of 2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol (CID 158404911) is 2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol.
What is the SMILES notation for 2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol?
The canonical SMILES for 2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol is CCCOc1ccc([C@@H]2COc3c(c(OC)cc4c3CCC(C)(C)O4)C2)c(O)c1.CCOc1ccc([C@@H]2COc3c(c(OC)cc4c3CCC(C)(C)O4)C2)c(O)c1.Cc1ccc([C@@H]2COc3c(ccc4c3CCC(C)(C)O4)C2)c(O)c1.
What is the InChIKey of 2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol?
The InChIKey is GYOFXMADCDIHDM-TYNGHCNFSA-N. The full InChI is InChI=1S/C24H30O5.C23H28O5.C21H24O3/c1-5-10-27-16-6-7-17(20(25)12-16)15-11-19-21(26-4)13-22-18(23(19)28-14-15)8-9-24(2,3)29-22;1-5-26-15-6-7-16(19(24)11-15)14-10-18-20(25-4)12-21-17(22(18)27-13-14)8-9-23(2,3)28-21;1-13-4-6-16(18(22)10-13)15-11-14-5-7-19-17(20(14)23-12-15)8-9-21(2,3)24-19/h6-7,12-13,15,25H,5,8-11,14H2,1-4H3;6-7,11-12,14,24H,5,8-10,13H2,1-4H3;4-7,10,15,22H,8-9,11-12H2,1-3H3/t15-;14-;15-/m000/s1.
What are the key properties of 2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol?
2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol has a molecular weight of 1107.39 g/mol, XLogP of 14.16, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-methylphenol;5-ethoxy-2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]phenol;2-[(3R)-5-methoxy-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl]-5-propoxyphenol is sourced from PubChem (CID 158404911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).