1-(3-cyclopropylphenyl)octan-1-ol

C17H26O — CID 79981026

IUPAC1-(3-cyclopropylphenyl)octan-1-ol
SMILESCCCCCCCC(O)c1cccc(C2CC2)c1
InChIInChI=1S/C17H26O/c1-2-3-4-5-6-10-17(18)16-9-7-8-15(13-16)14-11-12-14/h7-9,13-14,17-18H,2-6,10-12H2,1H3
InChIKeyXKXRKFFQENVGBL-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.96
Rot. Bonds8

About 1-(3-cyclopropylphenyl)octan-1-ol

1-(3-cyclopropylphenyl)octan-1-ol (PubChem CID 79981026) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)octan-1-ol.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)octan-1-ol
PubChem CID79981026
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(3-cyclopropylphenyl)octan-1-ol
SMILESCCCCCCCC(O)c1cccc(C2CC2)c1
InChIInChI=1S/C17H26O/c1-2-3-4-5-6-10-17(18)16-9-7-8-15(13-16)14-11-12-14/h7-9,13-14,17-18H,2-6,10-12H2,1H3
InChIKeyXKXRKFFQENVGBL-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321
1-(3-cyclopropylphenyl)undecan-1-ol
CID 79973186
1-(3-cyclopropylphenyl)decan-1-ol
CID 79980400
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-(4-cyclopropylphenyl)octan-1-ol
CID 79980004
1-(3-cyclobutylphenyl)nonylhydrazine
CID 105342031
1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol
CID 79980245
1-(3-methylphenyl)decan-1-ol
CID 63411280
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
1-(3-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247202
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
1-(4-cyclohexylphenyl)octan-1-ol
CID 63426970

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)octan-1-ol?
The IUPAC name of 1-(3-cyclopropylphenyl)octan-1-ol (CID 79981026) is 1-(3-cyclopropylphenyl)octan-1-ol.
What is the SMILES notation for 1-(3-cyclopropylphenyl)octan-1-ol?
The canonical SMILES for 1-(3-cyclopropylphenyl)octan-1-ol is CCCCCCCC(O)c1cccc(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropylphenyl)octan-1-ol?
The InChIKey is XKXRKFFQENVGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-2-3-4-5-6-10-17(18)16-9-7-8-15(13-16)14-11-12-14/h7-9,13-14,17-18H,2-6,10-12H2,1H3.
What are the key properties of 1-(3-cyclopropylphenyl)octan-1-ol?
1-(3-cyclopropylphenyl)octan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)octan-1-ol is sourced from PubChem (CID 79981026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).