1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol

C30H32O2 — CID 172714149

IUPAC1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol
SMILESOC1(C2(C3(O)C=CC=C(c4ccccc4)C3)CCCCC2)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C30H32O2/c31-29(20-10-16-26(22-29)24-12-4-1-5-13-24)28(18-8-3-9-19-28)30(32)21-11-17-27(23-30)25-14-6-2-7-15-25/h1-2,4-7,10-17,20-21,31-32H,3,8-9,18-19,22-23H2
InChIKeyFQEWCGYCQDQWFR-UHFFFAOYSA-N
MW424.58 g/mol
LogP6.49
Rot. Bonds4

About 1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol

1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 172714149) has the molecular formula C30H32O2 and a molecular weight of 424.58 g/mol. Its IUPAC name is 1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol
PubChem CID172714149
Molecular FormulaC30H32O2
Molecular Weight424.58 g/mol
Exact Mass424.24
IUPAC Name1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol
SMILESOC1(C2(C3(O)C=CC=C(c4ccccc4)C3)CCCCC2)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C30H32O2/c31-29(20-10-16-26(22-29)24-12-4-1-5-13-24)28(18-8-3-9-19-28)30(32)21-11-17-27(23-30)25-14-6-2-7-15-25/h1-2,4-7,10-17,20-21,31-32H,3,8-9,18-19,22-23H2
InChIKeyFQEWCGYCQDQWFR-UHFFFAOYSA-N
XLogP6.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.58
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol (CID 172714149) is 1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol is OC1(C2(C3(O)C=CC=C(c4ccccc4)C3)CCCCC2)C=CC=C(c2ccccc2)C1.
What is the InChIKey of 1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is FQEWCGYCQDQWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O2/c31-29(20-10-16-26(22-29)24-12-4-1-5-13-24)28(18-8-3-9-19-28)30(32)21-11-17-27(23-30)25-14-6-2-7-15-25/h1-2,4-7,10-17,20-21,31-32H,3,8-9,18-19,22-23H2.
What are the key properties of 1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol?
1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 424.58 g/mol, XLogP of 6.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 172714149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).