4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol

C23H30O2 — CID 123304647

IUPAC4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol
SMILESCCC1CC(C)(CC)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1
InChIInChI=1S/C23H30O2/c1-4-17-14-22(3,5-2)16-23(15-17,18-6-10-20(24)11-7-18)19-8-12-21(25)13-9-19/h6-13,17,24-25H,4-5,14-16H2,1-3H3
InChIKeyOCCFVLMYAYUEBJ-UHFFFAOYSA-N
MW338.49 g/mol
LogP6.01
Rot. Bonds4

About 4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol

4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol (PubChem CID 123304647) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol.

Molecular Properties

Compound Name4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol
PubChem CID123304647
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol
SMILESCCC1CC(C)(CC)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1
InChIInChI=1S/C23H30O2/c1-4-17-14-22(3,5-2)16-23(15-17,18-6-10-20(24)11-7-18)19-8-12-21(25)13-9-19/h6-13,17,24-25H,4-5,14-16H2,1-3H3
InChIKeyOCCFVLMYAYUEBJ-UHFFFAOYSA-N
XLogP6.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Pentylphenol
CID 6643
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
4-tert-Butylphenol
CID 7393
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
2,4-Di-tert-butylphenol
CID 7311
4-Tert-octylphenol
CID 8814
4,4'-Dihydroxybiphenyl
CID 7112

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol?
The IUPAC name of 4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol (CID 123304647) is 4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol.
What is the SMILES notation for 4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol?
The canonical SMILES for 4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol is CCC1CC(C)(CC)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1.
What is the InChIKey of 4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol?
The InChIKey is OCCFVLMYAYUEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2/c1-4-17-14-22(3,5-2)16-23(15-17,18-6-10-20(24)11-7-18)19-8-12-21(25)13-9-19/h6-13,17,24-25H,4-5,14-16H2,1-3H3.
What are the key properties of 4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol?
4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol has a molecular weight of 338.49 g/mol, XLogP of 6.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-diethyl-1-(4-hydroxyphenyl)-3-methylcyclohexyl]phenol is sourced from PubChem (CID 123304647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).