2-(3-methylphenyl)undecan-1-ol

C18H30O — CID 79417930

IUPAC2-(3-methylphenyl)undecan-1-ol
SMILESCCCCCCCCCC(CO)c1cccc(C)c1
InChIInChI=1S/C18H30O/c1-3-4-5-6-7-8-9-12-18(15-19)17-13-10-11-16(2)14-17/h10-11,13-14,18-19H,3-9,12,15H2,1-2H3
InChIKeyJCHXEIPPOSUBDQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.21
Rot. Bonds10

About 2-(3-methylphenyl)undecan-1-ol

2-(3-methylphenyl)undecan-1-ol (PubChem CID 79417930) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-(3-methylphenyl)undecan-1-ol.

Molecular Properties

Compound Name2-(3-methylphenyl)undecan-1-ol
PubChem CID79417930
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2-(3-methylphenyl)undecan-1-ol
SMILESCCCCCCCCCC(CO)c1cccc(C)c1
InChIInChI=1S/C18H30O/c1-3-4-5-6-7-8-9-12-18(15-19)17-13-10-11-16(2)14-17/h10-11,13-14,18-19H,3-9,12,15H2,1-2H3
InChIKeyJCHXEIPPOSUBDQ-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-methylphenyl)undecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-chloroundecan-2-yl)-3-methylbenzene
CID 79416854
1-(3-methylphenyl)decan-1-ol
CID 63411280
2-(3-methylphenyl)-N-propyloctan-1-amine
CID 79416667
2-(3-methylphenyl)-4-propoxybutan-1-ol
CID 106459483
4-amino-2-(3-methylphenyl)butan-1-ol
CID 115015469
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
1-[1-(disulfanyl)hexyl]-3-methylbenzene
CID 166830915
2-(3-methylanilino)octan-1-ol
CID 61049186
2-(4-chlorophenyl)undecan-1-ol
CID 79437648
1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)undecan-1-ol?
The IUPAC name of 2-(3-methylphenyl)undecan-1-ol (CID 79417930) is 2-(3-methylphenyl)undecan-1-ol.
What is the SMILES notation for 2-(3-methylphenyl)undecan-1-ol?
The canonical SMILES for 2-(3-methylphenyl)undecan-1-ol is CCCCCCCCCC(CO)c1cccc(C)c1.
What is the InChIKey of 2-(3-methylphenyl)undecan-1-ol?
The InChIKey is JCHXEIPPOSUBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-3-4-5-6-7-8-9-12-18(15-19)17-13-10-11-16(2)14-17/h10-11,13-14,18-19H,3-9,12,15H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)undecan-1-ol?
2-(3-methylphenyl)undecan-1-ol has a molecular weight of 262.44 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)undecan-1-ol is sourced from PubChem (CID 79417930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).