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

C21H26O2 — CID 4134035

IUPAC4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
SMILESCC1CC(C)(C)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1
InChIInChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3
InChIKeyUMPGNGRIGSEMTC-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.23
Rot. Bonds2

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

4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol (PubChem CID 4134035) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
PubChem CID4134035
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
SMILESCC1CC(C)(C)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1
InChIInChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3
InChIKeyUMPGNGRIGSEMTC-UHFFFAOYSA-N
XLogP5.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol (CID 4134035) is 4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol is CC1CC(C)(C)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol?
The InChIKey is UMPGNGRIGSEMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol?
4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol has a molecular weight of 310.44 g/mol, XLogP of 5.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol is sourced from PubChem (CID 4134035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).