1-(3-fluoro-4-methylphenyl)butane-1,2-diol

C11H15FO2 — CID 107128649

IUPAC1-(3-fluoro-4-methylphenyl)butane-1,2-diol
SMILESCCC(O)C(O)c1ccc(C)c(F)c1
InChIInChI=1S/C11H15FO2/c1-3-10(13)11(14)8-5-4-7(2)9(12)6-8/h4-6,10-11,13-14H,3H2,1-2H3
InChIKeyISNYKOFYEYVHJH-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.94
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)butane-1,2-diol

1-(3-fluoro-4-methylphenyl)butane-1,2-diol (PubChem CID 107128649) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)butane-1,2-diol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)butane-1,2-diol
PubChem CID107128649
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-(3-fluoro-4-methylphenyl)butane-1,2-diol
SMILESCCC(O)C(O)c1ccc(C)c(F)c1
InChIInChI=1S/C11H15FO2/c1-3-10(13)11(14)8-5-4-7(2)9(12)6-8/h4-6,10-11,13-14H,3H2,1-2H3
InChIKeyISNYKOFYEYVHJH-UHFFFAOYSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol
CID 107128607
1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol
CID 107130631
S-[3-(3-fluoro-4-methylphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821477
N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
CID 130150239
3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65186689
2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol
CID 55245369
tert-butyl N-[3-(3-fluoro-4-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831658
1-(3-fluoro-4-methylphenyl)-2-phenylpropan-1-ol
CID 107128049
3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783024
(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol
CID 97051735
1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
CID 113261628
4-(3-fluoro-4-methylphenyl)pentan-2-ol
CID 107129476

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)butane-1,2-diol?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)butane-1,2-diol (CID 107128649) is 1-(3-fluoro-4-methylphenyl)butane-1,2-diol.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)butane-1,2-diol?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)butane-1,2-diol is CCC(O)C(O)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)butane-1,2-diol?
The InChIKey is ISNYKOFYEYVHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-3-10(13)11(14)8-5-4-7(2)9(12)6-8/h4-6,10-11,13-14H,3H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)butane-1,2-diol?
1-(3-fluoro-4-methylphenyl)butane-1,2-diol has a molecular weight of 198.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)butane-1,2-diol is sourced from PubChem (CID 107128649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).