4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol

C26H30O2 — CID 18446132

IUPAC4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol
SMILESCc1cc(C2=CCC(C3CC=C(c4ccc(O)c(C)c4)CC3)CC2)ccc1O
InChIInChI=1S/C26H30O2/c1-17-15-23(11-13-25(17)27)21-7-3-19(4-8-21)20-5-9-22(10-6-20)24-12-14-26(28)18(2)16-24/h7,9,11-16,19-20,27-28H,3-6,8,10H2,1-2H3
InChIKeyRDGVGEFEGMRNMJ-UHFFFAOYSA-N
MW374.52 g/mol
LogP6.78
Rot. Bonds3

About 4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol

4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol (PubChem CID 18446132) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol
PubChem CID18446132
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol
SMILESCc1cc(C2=CCC(C3CC=C(c4ccc(O)c(C)c4)CC3)CC2)ccc1O
InChIInChI=1S/C26H30O2/c1-17-15-23(11-13-25(17)27)21-7-3-19(4-8-21)20-5-9-22(10-6-20)24-12-14-26(28)18(2)16-24/h7,9,11-16,19-20,27-28H,3-6,8,10H2,1-2H3
InChIKeyRDGVGEFEGMRNMJ-UHFFFAOYSA-N
XLogP6.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol?
The IUPAC name of 4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol (CID 18446132) is 4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol.
What is the SMILES notation for 4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol?
The canonical SMILES for 4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol is Cc1cc(C2=CCC(C3CC=C(c4ccc(O)c(C)c4)CC3)CC2)ccc1O.
What is the InChIKey of 4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol?
The InChIKey is RDGVGEFEGMRNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-17-15-23(11-13-25(17)27)21-7-3-19(4-8-21)20-5-9-22(10-6-20)24-12-14-26(28)18(2)16-24/h7,9,11-16,19-20,27-28H,3-6,8,10H2,1-2H3.
What are the key properties of 4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol?
4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol has a molecular weight of 374.52 g/mol, XLogP of 6.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-hydroxy-3-methylphenyl)cyclohex-3-en-1-yl]cyclohexen-1-yl]-2-methylphenol is sourced from PubChem (CID 18446132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).