1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol

C13H17FO — CID 64918280

IUPAC1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol
SMILESCCC(O)(c1ccc(F)c(C)c1)C1CC1
InChIInChI=1S/C13H17FO/c1-3-13(15,10-4-5-10)11-6-7-12(14)9(2)8-11/h6-8,10,15H,3-5H2,1-2H3
InChIKeyYUJDETSMBDFUHR-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.14
Rot. Bonds3

About 1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol

1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol (PubChem CID 64918280) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol
PubChem CID64918280
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol
SMILESCCC(O)(c1ccc(F)c(C)c1)C1CC1
InChIInChI=1S/C13H17FO/c1-3-13(15,10-4-5-10)11-6-7-12(14)9(2)8-11/h6-8,10,15H,3-5H2,1-2H3
InChIKeyYUJDETSMBDFUHR-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128071
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol
CID 107512247
1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol
CID 82115239
1-cyclopropyl-1-(2-fluorophenyl)propan-1-ol
CID 64918927
1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol
CID 558630
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
1-cyclopropyl-1-(2,4-dimethylphenyl)propan-1-ol
CID 64919325
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159
2-(4-fluoro-3-methylphenyl)butan-2-amine
CID 62791443
(1S)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051318

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The IUPAC name of 1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol (CID 64918280) is 1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The canonical SMILES for 1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol is CCC(O)(c1ccc(F)c(C)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The InChIKey is YUJDETSMBDFUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-3-13(15,10-4-5-10)11-6-7-12(14)9(2)8-11/h6-8,10,15H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol?
1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol has a molecular weight of 208.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 64918280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).