4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol

C20H24O2 — CID 22165061

IUPAC4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol
SMILESCC1(C)CCCCC1(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H24O2/c1-19(2)13-3-4-14-20(19,15-5-9-17(21)10-6-15)16-7-11-18(22)12-8-16/h5-12,21-22H,3-4,13-14H2,1-2H3
InChIKeyUUVFBUROHDGYKT-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.98
Rot. Bonds2

About 4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol

4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol (PubChem CID 22165061) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol
PubChem CID22165061
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol
SMILESCC1(C)CCCCC1(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H24O2/c1-19(2)13-3-4-14-20(19,15-5-9-17(21)10-6-15)16-7-11-18(22)12-8-16/h5-12,21-22H,3-4,13-14H2,1-2H3
InChIKeyUUVFBUROHDGYKT-UHFFFAOYSA-N
XLogP4.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.98
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)-2,2-dimethylcyclohexyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol (CID 22165061) is 4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol is CC1(C)CCCCC1(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol?
The InChIKey is UUVFBUROHDGYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-19(2)13-3-4-14-20(19,15-5-9-17(21)10-6-15)16-7-11-18(22)12-8-16/h5-12,21-22H,3-4,13-14H2,1-2H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol?
4-[1-(4-hydroxyphenyl)-2,2-dimethylcyclohexyl]phenol has a molecular weight of 296.41 g/mol, XLogP of 4.98, 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)-2,2-dimethylcyclohexyl]phenol is sourced from PubChem (CID 22165061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).