(1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol

C12H15FO — CID 97051317

IUPAC(1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
SMILESCc1ccc([C@](C)(O)C2CC2)cc1F
InChIInChI=1S/C12H15FO/c1-8-3-4-10(7-11(8)13)12(2,14)9-5-6-9/h3-4,7,9,14H,5-6H2,1-2H3/t12-/m1/s1
InChIKeyKYZXFMROYXTFHG-GFCCVEGCSA-N
MW194.25 g/mol
LogP2.75
Rot. Bonds2

About (1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol

(1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol (PubChem CID 97051317) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
PubChem CID97051317
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name(1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
SMILESCc1ccc([C@](C)(O)C2CC2)cc1F
InChIInChI=1S/C12H15FO/c1-8-3-4-10(7-11(8)13)12(2,14)9-5-6-9/h3-4,7,9,14H,5-6H2,1-2H3/t12-/m1/s1
InChIKeyKYZXFMROYXTFHG-GFCCVEGCSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051318
1-cyclopropyl-1-(3,4-difluorophenyl)ethanol
CID 62802186
1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 64748987
1-cyclopropyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128071
1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol
CID 91655471
1-cyclobutyl-2-(3-fluoro-4-methylphenyl)propan-2-ol
CID 107128199
1-(3,4-dimethylphenyl)-1-piperidin-4-ylethanol
CID 82290252
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
1-(3-tert-butylphenyl)-1-cyclopropylethanol
CID 91657928
2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol
CID 58481777
2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 79005020
1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106880260

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol?
The IUPAC name of (1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol (CID 97051317) is (1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol.
What is the SMILES notation for (1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol?
The canonical SMILES for (1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol is Cc1ccc([C@](C)(O)C2CC2)cc1F.
What is the InChIKey of (1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol?
The InChIKey is KYZXFMROYXTFHG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15FO/c1-8-3-4-10(7-11(8)13)12(2,14)9-5-6-9/h3-4,7,9,14H,5-6H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol?
(1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol has a molecular weight of 194.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol is sourced from PubChem (CID 97051317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).