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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Related Compounds

2-[(1S,2S,5R)-2-butyl-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 54204170
2-[(1R,2R,5R)-2-(3-aminopropyl)-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 13105187
2-[(1R,2R,5R)-2-[3-(dimethylamino)propyl]-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 13105195
2-[5-hydroxy-2-(3-methoxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 13105202
2-[(1R,2R,5R)-2-ethyl-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 100924322
3-[(1S,2R,4R)-4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexyl]propanoic acid
CID 13105184
6-[(1R,2S,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-3-(2-methyloctan-2-yl)cyclohexa-1,3-dien-1-ol
CID 71056940
methyl 3-[(1S,2R,4R)-4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexyl]propanoate
CID 13105178
2-[(1S,2R,5R)-2-(2-hydroxyethyl)-5-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 170523034
2-[(1S,2R,5R)-5-hydroxy-2-prop-2-enylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 12788284
6-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-3-(2-methyloctan-2-yl)cyclohex-2-en-1-one
CID 91366581
2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 12788220

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).