2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol

C24H40O2 — CID 23846555

IUPAC2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol
SMILESCCCCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1
InChIInChI=1S/C24H40O2/c1-4-5-6-7-8-9-10-16-24(2,3)20-14-15-22(23(26)18-20)19-12-11-13-21(25)17-19/h14-15,18-19,21,25-26H,4-13,16-17H2,1-3H3/t19-,21+/m0/s1
InChIKeyQIMJYNBMSVYRKH-PZJWPPBQSA-N
MW360.58 g/mol
LogP6.83
Rot. Bonds10

About 2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol

2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol (PubChem CID 23846555) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol.

Molecular Properties

Compound Name2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol
PubChem CID23846555
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol
SMILESCCCCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1
InChIInChI=1S/C24H40O2/c1-4-5-6-7-8-9-10-16-24(2,3)20-14-15-22(23(26)18-20)19-12-11-13-21(25)17-19/h14-15,18-19,21,25-26H,4-13,16-17H2,1-3H3/t19-,21+/m0/s1
InChIKeyQIMJYNBMSVYRKH-PZJWPPBQSA-N
XLogP6.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,3R)-3-hydroxycyclohexyl]-5-(2-methylnonan-2-yl)phenol
CID 12788232
2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methyldodecan-2-yl)phenol
CID 12788261
2-(3-hydroxycyclohexyl)-5-(2-methylhexan-2-yl)phenol
CID 12788248
3-[2-methyl-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-ol
CID 126594241
bis[7-[3-hydroxy-4-[(1S,3R)-3-hydroxycyclohexyl]phenyl]-7-methyloctoxy]-oxoazanium
CID 90376055
2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 155332977
[5-[3-hydroxy-4-[(1S,3R)-3-hydroxycyclohexyl]phenyl]-5-methylhexyl] nitrate
CID 118620599
2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 12788220
2-[(1R,2R,5R)-2-ethyl-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 100924322
5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol
CID 23757260
2-[(1S,2S,5R)-2-butyl-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 54204170
2-(3-hydroxycyclohexyl)-5-(2,4,4,6,6-pentamethylheptan-2-yl)phenol
CID 155570311

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol?
The IUPAC name of 2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol (CID 23846555) is 2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol.
What is the SMILES notation for 2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol?
The canonical SMILES for 2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol is CCCCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1.
What is the InChIKey of 2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol?
The InChIKey is QIMJYNBMSVYRKH-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H40O2/c1-4-5-6-7-8-9-10-16-24(2,3)20-14-15-22(23(26)18-20)19-12-11-13-21(25)17-19/h14-15,18-19,21,25-26H,4-13,16-17H2,1-3H3/t19-,21+/m0/s1.
What are the key properties of 2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol?
2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol has a molecular weight of 360.58 g/mol, XLogP of 6.83, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol is sourced from PubChem (CID 23846555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).