1-(3-cyclopropylphenyl)heptan-1-ol

C16H24O — CID 79980321

IUPAC1-(3-cyclopropylphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1cccc(C2CC2)c1
InChIInChI=1S/C16H24O/c1-2-3-4-5-9-16(17)15-8-6-7-14(12-15)13-10-11-13/h6-8,12-13,16-17H,2-5,9-11H2,1H3
InChIKeyYCQYKXNCLPRKNN-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.57
Rot. Bonds7

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

1-(3-cyclopropylphenyl)heptan-1-ol (PubChem CID 79980321) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)heptan-1-ol.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)heptan-1-ol
PubChem CID79980321
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(3-cyclopropylphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1cccc(C2CC2)c1
InChIInChI=1S/C16H24O/c1-2-3-4-5-9-16(17)15-8-6-7-14(12-15)13-10-11-13/h6-8,12-13,16-17H,2-5,9-11H2,1H3
InChIKeyYCQYKXNCLPRKNN-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.57
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)undecan-1-ol
CID 79973186
1-(3-cyclopropylphenyl)octan-1-ol
CID 79981026
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)heptan-1-ol?
The IUPAC name of 1-(3-cyclopropylphenyl)heptan-1-ol (CID 79980321) is 1-(3-cyclopropylphenyl)heptan-1-ol.
What is the SMILES notation for 1-(3-cyclopropylphenyl)heptan-1-ol?
The canonical SMILES for 1-(3-cyclopropylphenyl)heptan-1-ol is CCCCCCC(O)c1cccc(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropylphenyl)heptan-1-ol?
The InChIKey is YCQYKXNCLPRKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-2-3-4-5-9-16(17)15-8-6-7-14(12-15)13-10-11-13/h6-8,12-13,16-17H,2-5,9-11H2,1H3.
What are the key properties of 1-(3-cyclopropylphenyl)heptan-1-ol?
1-(3-cyclopropylphenyl)heptan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)heptan-1-ol is sourced from PubChem (CID 79980321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).