2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol

C24H40O2 — CID 155570311

IUPAC2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)CC(C)(C)c1ccc(C2CCCC(O)C2)c(O)c1
InChIInChI=1S/C24H40O2/c1-22(2,3)15-23(4,5)16-24(6,7)18-11-12-20(21(26)14-18)17-9-8-10-19(25)13-17/h11-12,14,17,19,25-26H,8-10,13,15-16H2,1-7H3
InChIKeyPXOSNWXTIJIXIF-UHFFFAOYSA-N
MW360.58 g/mol
LogP6.54
Rot. Bonds5

About 2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol

2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol (PubChem CID 155570311) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol.

Molecular Properties

Compound Name2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol
PubChem CID155570311
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)CC(C)(C)c1ccc(C2CCCC(O)C2)c(O)c1
InChIInChI=1S/C24H40O2/c1-22(2,3)15-23(4,5)16-24(6,7)18-11-12-20(21(26)14-18)17-9-8-10-19(25)13-17/h11-12,14,17,19,25-26H,8-10,13,15-16H2,1-7H3
InChIKeyPXOSNWXTIJIXIF-UHFFFAOYSA-N
XLogP6.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol?
The IUPAC name of 2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol (CID 155570311) is 2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol.
What is the SMILES notation for 2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol?
The canonical SMILES for 2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol is CC(C)(C)CC(C)(C)CC(C)(C)c1ccc(C2CCCC(O)C2)c(O)c1.
What is the InChIKey of 2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol?
The InChIKey is PXOSNWXTIJIXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-22(2,3)15-23(4,5)16-24(6,7)18-11-12-20(21(26)14-18)17-9-8-10-19(25)13-17/h11-12,14,17,19,25-26H,8-10,13,15-16H2,1-7H3.
What are the key properties of 2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol?
2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol has a molecular weight of 360.58 g/mol, XLogP of 6.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol is sourced from PubChem (CID 155570311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).