4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol

C32H32O2 — CID 126734953

IUPAC4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol
SMILESCOc1ccc(C2=CCCC(c3ccc(O)c(C4=CC(C)CC=C4)c3)C2)cc1-c1ccccc1
InChIInChI=1S/C32H32O2/c1-22-8-6-13-28(18-22)29-20-26(14-16-31(29)33)24-11-7-12-25(19-24)27-15-17-32(34-2)30(21-27)23-9-4-3-5-10-23/h3-6,9-10,12-18,20-22,24,33H,7-8,11,19H2,1-2H3
InChIKeyAQQYCSOIBJJKGM-UHFFFAOYSA-N
MW448.61 g/mol
LogP8.40
Rot. Bonds5

About 4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol

4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol (PubChem CID 126734953) has the molecular formula C32H32O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol.

Molecular Properties

Compound Name4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol
PubChem CID126734953
Molecular FormulaC32H32O2
Molecular Weight448.61 g/mol
Exact Mass448.24
IUPAC Name4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol
SMILESCOc1ccc(C2=CCCC(c3ccc(O)c(C4=CC(C)CC=C4)c3)C2)cc1-c1ccccc1
InChIInChI=1S/C32H32O2/c1-22-8-6-13-28(18-22)29-20-26(14-16-31(29)33)24-11-7-12-25(19-24)27-15-17-32(34-2)30(21-27)23-9-4-3-5-10-23/h3-6,9-10,12-18,20-22,24,33H,7-8,11,19H2,1-2H3
InChIKeyAQQYCSOIBJJKGM-UHFFFAOYSA-N
XLogP8.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol with MolForge

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Related Compounds

5-(4-methoxy-3-phenylphenyl)piperidin-2-one
CID 67536605
(5S)-5-(4-methoxy-3-phenylphenyl)piperidin-2-one
CID 67536603
4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one
CID 14529704
2,9-dimethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenyl-1,10-phenanthroline
CID 146321201
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
2-methoxy-5-[(3R)-5-methylidene-1-phenylpyrrolidin-3-yl]phenol
CID 89146211
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
(3S,4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-phenylpyrrolidin-2-one
CID 101033464
bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol)
CID 143426467
2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine
CID 175227586
5-methyl-2-phenylcyclohepta-1,3-diene
CID 143994099
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol?
The IUPAC name of 4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol (CID 126734953) is 4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol.
What is the SMILES notation for 4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol?
The canonical SMILES for 4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol is COc1ccc(C2=CCCC(c3ccc(O)c(C4=CC(C)CC=C4)c3)C2)cc1-c1ccccc1.
What is the InChIKey of 4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol?
The InChIKey is AQQYCSOIBJJKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O2/c1-22-8-6-13-28(18-22)29-20-26(14-16-31(29)33)24-11-7-12-25(19-24)27-15-17-32(34-2)30(21-27)23-9-4-3-5-10-23/h3-6,9-10,12-18,20-22,24,33H,7-8,11,19H2,1-2H3.
What are the key properties of 4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol?
4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol has a molecular weight of 448.61 g/mol, XLogP of 8.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxy-3-phenylphenyl)cyclohex-3-en-1-yl]-2-(3-methylcyclohexa-1,5-dien-1-yl)phenol is sourced from PubChem (CID 126734953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).