3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol

C24H40O3 — CID 87183316

IUPAC3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1c(O)cccc1C1CC(O)CCC1CCCO
InChIInChI=1S/C24H40O3/c1-4-5-6-7-15-24(2,3)23-20(11-8-12-22(23)27)21-17-19(26)14-13-18(21)10-9-16-25/h8,11-12,18-19,21,25-27H,4-7,9-10,13-17H2,1-3H3
InChIKeyJVVYRFPSWBEKGC-UHFFFAOYSA-N
MW376.58 g/mol
LogP5.66
Rot. Bonds10

About 3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol

3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol (PubChem CID 87183316) has the molecular formula C24H40O3 and a molecular weight of 376.58 g/mol. Its IUPAC name is 3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol.

Molecular Properties

Compound Name3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol
PubChem CID87183316
Molecular FormulaC24H40O3
Molecular Weight376.58 g/mol
Exact Mass376.30
IUPAC Name3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1c(O)cccc1C1CC(O)CCC1CCCO
InChIInChI=1S/C24H40O3/c1-4-5-6-7-15-24(2,3)23-20(11-8-12-22(23)27)21-17-19(26)14-13-18(21)10-9-16-25/h8,11-12,18-19,21,25-27H,4-7,9-10,13-17H2,1-3H3
InChIKeyJVVYRFPSWBEKGC-UHFFFAOYSA-N
XLogP5.66
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol?
The IUPAC name of 3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol (CID 87183316) is 3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol.
What is the SMILES notation for 3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol?
The canonical SMILES for 3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol is CCCCCCC(C)(C)c1c(O)cccc1C1CC(O)CCC1CCCO.
What is the InChIKey of 3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol?
The InChIKey is JVVYRFPSWBEKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O3/c1-4-5-6-7-15-24(2,3)23-20(11-8-12-22(23)27)21-17-19(26)14-13-18(21)10-9-16-25/h8,11-12,18-19,21,25-27H,4-7,9-10,13-17H2,1-3H3.
What are the key properties of 3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol?
3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol has a molecular weight of 376.58 g/mol, XLogP of 5.66, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-2-(2-methyloctan-2-yl)phenol is sourced from PubChem (CID 87183316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).