1-(2-fluoro-3-methylphenyl)propan-1-ol

C10H13FO — CID 115787793

IUPAC1-(2-fluoro-3-methylphenyl)propan-1-ol
SMILESCCC(O)c1cccc(C)c1F
InChIInChI=1S/C10H13FO/c1-3-9(12)8-6-4-5-7(2)10(8)11/h4-6,9,12H,3H2,1-2H3
InChIKeyCXYXNHZPTKZCRS-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.58
Rot. Bonds2

About 1-(2-fluoro-3-methylphenyl)propan-1-ol

1-(2-fluoro-3-methylphenyl)propan-1-ol (PubChem CID 115787793) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)propan-1-ol
PubChem CID115787793
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name1-(2-fluoro-3-methylphenyl)propan-1-ol
SMILESCCC(O)c1cccc(C)c1F
InChIInChI=1S/C10H13FO/c1-3-9(12)8-6-4-5-7(2)10(8)11/h4-6,9,12H,3H2,1-2H3
InChIKeyCXYXNHZPTKZCRS-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168
1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028
1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 81477466
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol
CID 115830188
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
CID 137495606
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
2-(5-ethyl-2-pyridinyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822367
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
3-[(1R)-1-hydroxypropyl]benzene-1,2-diol
CID 11229010
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)propan-1-ol?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)propan-1-ol (CID 115787793) is 1-(2-fluoro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)propan-1-ol is CCC(O)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)propan-1-ol?
The InChIKey is CXYXNHZPTKZCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-3-9(12)8-6-4-5-7(2)10(8)11/h4-6,9,12H,3H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)propan-1-ol?
1-(2-fluoro-3-methylphenyl)propan-1-ol has a molecular weight of 168.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 115787793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).