(6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol

C34H42O4 — CID 131752564

IUPAC(6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol
SMILESCOc1cc(-c2cc(OC)c3c(c2O)C/C(C)=C\CC/C(C)=C\C3)c(O)c2c1C/C=C(/C)CC/C=C(/C)C2
InChIInChI=1S/C34H42O4/c1-21-9-7-11-23(3)17-27-25(15-13-21)31(37-5)19-29(33(27)35)30-20-32(38-6)26-16-14-22(2)10-8-12-24(4)18-28(26)34(30)36/h11-14,19-20,35-36H,7-10,15-18H2,1-6H3/b21-13-,22-14-,23-11-,24-12-
InChIKeyFFUHECWLQYKEQO-SISZSTKXSA-N
MW514.71 g/mol
LogP8.32
Rot. Bonds3

About (6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol

(6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol (PubChem CID 131752564) has the molecular formula C34H42O4 and a molecular weight of 514.71 g/mol. Its IUPAC name is (6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol.

Molecular Properties

Compound Name(6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol
PubChem CID131752564
Molecular FormulaC34H42O4
Molecular Weight514.71 g/mol
Exact Mass514.31
IUPAC Name(6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol
SMILESCOc1cc(-c2cc(OC)c3c(c2O)C/C(C)=C\CC/C(C)=C\C3)c(O)c2c1C/C=C(/C)CC/C=C(/C)C2
InChIInChI=1S/C34H42O4/c1-21-9-7-11-23(3)17-27-25(15-13-21)31(37-5)19-29(33(27)35)30-20-32(38-6)26-16-14-22(2)10-8-12-24(4)18-28(26)34(30)36/h11-14,19-20,35-36H,7-10,15-18H2,1-6H3/b21-13-,22-14-,23-11-,24-12-
InChIKeyFFUHECWLQYKEQO-SISZSTKXSA-N
XLogP8.32
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 58.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol 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

Tocopherols
CID 14986
(+)-gamma-Tocopherol
CID 92729
Gamma-Tocotrienol
CID 5282349
Alpha-Tocotrienol
CID 5282347
Beta-Tocopherol
CID 6857447
4-Methoxy-1-naphthol
CID 66542
beta-Tocotrienol
CID 5282348
2,6-Di-tert-butyl-4-methoxyphenol
CID 10269
Hthq
CID 119193
2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
CID 86052
epsilon-Tokoferol
CID 9844470
4-(1,1-Dimethyl-heptyl)-2''-methoxy-biphenyl-2-ol
CID 11290338

Frequently Asked Questions

What is the IUPAC name of (6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol?
The IUPAC name of (6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol (CID 131752564) is (6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol.
What is the SMILES notation for (6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol?
The canonical SMILES for (6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol is COc1cc(-c2cc(OC)c3c(c2O)C/C(C)=C\CC/C(C)=C\C3)c(O)c2c1C/C=C(/C)CC/C=C(/C)C2.
What is the InChIKey of (6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol?
The InChIKey is FFUHECWLQYKEQO-SISZSTKXSA-N. The full InChI is InChI=1S/C34H42O4/c1-21-9-7-11-23(3)17-27-25(15-13-21)31(37-5)19-29(33(27)35)30-20-32(38-6)26-16-14-22(2)10-8-12-24(4)18-28(26)34(30)36/h11-14,19-20,35-36H,7-10,15-18H2,1-6H3/b21-13-,22-14-,23-11-,24-12-.
What are the key properties of (6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol?
(6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol has a molecular weight of 514.71 g/mol, XLogP of 8.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,10Z)-2-[(6Z,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol is sourced from PubChem (CID 131752564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).