1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol

C19H22O — CID 79980245

IUPAC1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1cccc(C2CC2)c1
InChIInChI=1S/C19H22O/c20-19(11-4-8-15-6-2-1-3-7-15)18-10-5-9-17(14-18)16-12-13-16/h1-3,5-7,9-10,14,16,19-20H,4,8,11-13H2
InChIKeyXREZTDLQMVKQED-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.62
Rot. Bonds6

About 1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol

1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol (PubChem CID 79980245) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol
PubChem CID79980245
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1cccc(C2CC2)c1
InChIInChI=1S/C19H22O/c20-19(11-4-8-15-6-2-1-3-7-15)18-10-5-9-17(14-18)16-12-13-16/h1-3,5-7,9-10,14,16,19-20H,4,8,11-13H2
InChIKeyXREZTDLQMVKQED-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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)octan-1-ol
CID 79981026
1-(3-cyclopropylphenyl)decan-1-ol
CID 79980400
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol
CID 79980080
1-(3-cyclopropylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 79973012
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
1-(3,5-dibromophenyl)-4-phenylbutan-1-ol
CID 107978286
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol (CID 79980245) is 1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol is OC(CCCc1ccccc1)c1cccc(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol?
The InChIKey is XREZTDLQMVKQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c20-19(11-4-8-15-6-2-1-3-7-15)18-10-5-9-17(14-18)16-12-13-16/h1-3,5-7,9-10,14,16,19-20H,4,8,11-13H2.
What are the key properties of 1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol?
1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 79980245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).