(2-octylphenyl)methanol

C15H24O — CID 19826681

IUPAC(2-octylphenyl)methanol
SMILESCCCCCCCCc1ccccc1CO
InChIInChI=1S/C15H24O/c1-2-3-4-5-6-7-10-14-11-8-9-12-15(14)13-16/h8-9,11-12,16H,2-7,10,13H2,1H3
InChIKeyRIPHCJVGQWUPHD-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.08
Rot. Bonds8

About (2-octylphenyl)methanol

(2-octylphenyl)methanol (PubChem CID 19826681) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2-octylphenyl)methanol.

Molecular Properties

Compound Name(2-octylphenyl)methanol
PubChem CID19826681
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2-octylphenyl)methanol
SMILESCCCCCCCCc1ccccc1CO
InChIInChI=1S/C15H24O/c1-2-3-4-5-6-7-10-14-11-8-9-12-15(14)13-16/h8-9,11-12,16H,2-7,10,13H2,1H3
InChIKeyRIPHCJVGQWUPHD-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-octylphenyl)methanol 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-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
2-dodecylphenol
CID 160834917
1,2-didecylbenzene;phosphonous acid
CID 70526437
CID 69025009
CID 69025009
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
CID 158595082
CID 158595082

Frequently Asked Questions

What is the IUPAC name of (2-octylphenyl)methanol?
The IUPAC name of (2-octylphenyl)methanol (CID 19826681) is (2-octylphenyl)methanol.
What is the SMILES notation for (2-octylphenyl)methanol?
The canonical SMILES for (2-octylphenyl)methanol is CCCCCCCCc1ccccc1CO.
What is the InChIKey of (2-octylphenyl)methanol?
The InChIKey is RIPHCJVGQWUPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-2-3-4-5-6-7-10-14-11-8-9-12-15(14)13-16/h8-9,11-12,16H,2-7,10,13H2,1H3.
What are the key properties of (2-octylphenyl)methanol?
(2-octylphenyl)methanol has a molecular weight of 220.36 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-octylphenyl)methanol is sourced from PubChem (CID 19826681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).