1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol

C17H19FO — CID 114832697

IUPAC1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
SMILESCc1ccccc1CC(C)(O)Cc1ccccc1F
InChIInChI=1S/C17H19FO/c1-13-7-3-4-8-14(13)11-17(2,19)12-15-9-5-6-10-16(15)18/h3-10,19H,11-12H2,1-2H3
InChIKeyZSBBQMVRGKDICW-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.67
Rot. Bonds4

About 1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol

1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol (PubChem CID 114832697) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
PubChem CID114832697
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
SMILESCc1ccccc1CC(C)(O)Cc1ccccc1F
InChIInChI=1S/C17H19FO/c1-13-7-3-4-8-14(13)11-17(2,19)12-15-9-5-6-10-16(15)18/h3-10,19H,11-12H2,1-2H3
InChIKeyZSBBQMVRGKDICW-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731
1-(2-fluorophenyl)-2-methylhexan-2-ol
CID 114832673
1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832677
1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol
CID 114832660
2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
CID 58555255
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 114832719
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832657
ethyl 4-(2-fluorophenyl)-3-hydroxy-2,2,3-trimethylbutanoate
CID 114834438
3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol
CID 114832904

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol (CID 114832697) is 1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol is Cc1ccccc1CC(C)(O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol?
The InChIKey is ZSBBQMVRGKDICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c1-13-7-3-4-8-14(13)11-17(2,19)12-15-9-5-6-10-16(15)18/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol?
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol has a molecular weight of 258.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol is sourced from PubChem (CID 114832697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).