2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol

C24H32O2 — CID 68965839

IUPAC2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCCCCC(C)c1cc(C2CCC(c3ccc(O)cc3)CC2)ccc1O
InChIInChI=1S/C24H32O2/c1-3-4-5-17(2)23-16-21(12-15-24(23)26)20-8-6-18(7-9-20)19-10-13-22(25)14-11-19/h10-18,20,25-26H,3-9H2,1-2H3
InChIKeyXJKFNYNLULBQTD-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.83
Rot. Bonds6

About 2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol

2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol (PubChem CID 68965839) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol
PubChem CID68965839
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCCCCC(C)c1cc(C2CCC(c3ccc(O)cc3)CC2)ccc1O
InChIInChI=1S/C24H32O2/c1-3-4-5-17(2)23-16-21(12-15-24(23)26)20-8-6-18(7-9-20)19-10-13-22(25)14-11-19/h10-18,20,25-26H,3-9H2,1-2H3
InChIKeyXJKFNYNLULBQTD-UHFFFAOYSA-N
XLogP6.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hexan-2-ylbenzene-1,3-diol
CID 66695243
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 154613065
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
4-(1-butylpiperidin-4-yl)phenol
CID 10663044
4-hexan-2-ylphenol
CID 12579179
4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol
CID 68801161
4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol
CID 139945023
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
4-cyclopropyl-2-ethylphenol
CID 22039039
(4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane
CID 22166123
N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide
CID 139972009
4-hexan-2-ylbenzene-1,2-diol
CID 14595150

Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol?
The IUPAC name of 2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol (CID 68965839) is 2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol.
What is the SMILES notation for 2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol?
The canonical SMILES for 2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol is CCCCC(C)c1cc(C2CCC(c3ccc(O)cc3)CC2)ccc1O.
What is the InChIKey of 2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol?
The InChIKey is XJKFNYNLULBQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2/c1-3-4-5-17(2)23-16-21(12-15-24(23)26)20-8-6-18(7-9-20)19-10-13-22(25)14-11-19/h10-18,20,25-26H,3-9H2,1-2H3.
What are the key properties of 2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol?
2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol has a molecular weight of 352.52 g/mol, XLogP of 6.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol is sourced from PubChem (CID 68965839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).