2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol

C12H17FO — CID 58481777

IUPAC2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol
SMILESCc1ccc(C(C)(O)C(C)C)cc1F
InChIInChI=1S/C12H17FO/c1-8(2)12(4,14)10-6-5-9(3)11(13)7-10/h5-8,14H,1-4H3
InChIKeyCIBXIPKGPZQCMW-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.00
Rot. Bonds2

About 2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol

2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol (PubChem CID 58481777) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol
PubChem CID58481777
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol
SMILESCc1ccc(C(C)(O)C(C)C)cc1F
InChIInChI=1S/C12H17FO/c1-8(2)12(4,14)10-6-5-9(3)11(13)7-10/h5-8,14H,1-4H3
InChIKeyCIBXIPKGPZQCMW-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 62786947
2-(3,4-difluorophenyl)-3-methylbutan-2-ol
CID 62802016
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
CID 94334038
4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol
CID 107129477
2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 79005020
(1S)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051318
(1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051317
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
CID 94601218
(2S)-2-(5-chloro-2-methylphenyl)-3-methylbutan-2-ol
CID 97294242
2-(3-fluoro-4-methylphenyl)hept-5-yn-2-ol
CID 104809630
ethene;2-fluoro-1,4-dimethylbenzene;2-methylpropan-2-ol
CID 145318169

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol (CID 58481777) is 2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol is Cc1ccc(C(C)(O)C(C)C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol?
The InChIKey is CIBXIPKGPZQCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-8(2)12(4,14)10-6-5-9(3)11(13)7-10/h5-8,14H,1-4H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol?
2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol has a molecular weight of 196.27 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 58481777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).