(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol

C11H15FO — CID 94601210

IUPAC(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
SMILESCC[C@](C)(O)c1ccc(F)c(C)c1
InChIInChI=1S/C11H15FO/c1-4-11(3,13)9-5-6-10(12)8(2)7-9/h5-7,13H,4H2,1-3H3/t11-/m0/s1
InChIKeyORFZGMHWHPBROA-NSHDSACASA-N
MW182.24 g/mol
LogP2.75
Rot. Bonds2

About (2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol

(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol (PubChem CID 94601210) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
PubChem CID94601210
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
SMILESCC[C@](C)(O)c1ccc(F)c(C)c1
InChIInChI=1S/C11H15FO/c1-4-11(3,13)9-5-6-10(12)8(2)7-9/h5-7,13H,4H2,1-3H3/t11-/m0/s1
InChIKeyORFZGMHWHPBROA-NSHDSACASA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
2-(4-fluoro-3-methylphenyl)butan-2-amine
CID 62791443
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 64918280
2-(4-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 62786947
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66245563
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
2-(3-tert-butylphenyl)butan-2-ol
CID 91655645
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 82920068

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol?
The IUPAC name of (2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol (CID 94601210) is (2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol.
What is the SMILES notation for (2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol?
The canonical SMILES for (2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol is CC[C@](C)(O)c1ccc(F)c(C)c1.
What is the InChIKey of (2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol?
The InChIKey is ORFZGMHWHPBROA-NSHDSACASA-N. The full InChI is InChI=1S/C11H15FO/c1-4-11(3,13)9-5-6-10(12)8(2)7-9/h5-7,13H,4H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol?
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol has a molecular weight of 182.24 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 (2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol is sourced from PubChem (CID 94601210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).