2-(4-fluoro-3-methylphenyl)butan-1-ol

C11H15FO — CID 82075115

IUPAC2-(4-fluoro-3-methylphenyl)butan-1-ol
SMILESCCC(CO)c1ccc(F)c(C)c1
InChIInChI=1S/C11H15FO/c1-3-9(7-13)10-4-5-11(12)8(2)6-10/h4-6,9,13H,3,7H2,1-2H3
InChIKeyDRVPOYBOOCCHJH-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.62
Rot. Bonds3

About 2-(4-fluoro-3-methylphenyl)butan-1-ol

2-(4-fluoro-3-methylphenyl)butan-1-ol (PubChem CID 82075115) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)butan-1-ol
PubChem CID82075115
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name2-(4-fluoro-3-methylphenyl)butan-1-ol
SMILESCCC(CO)c1ccc(F)c(C)c1
InChIInChI=1S/C11H15FO/c1-3-9(7-13)10-4-5-11(12)8(2)6-10/h4-6,9,13H,3,7H2,1-2H3
InChIKeyDRVPOYBOOCCHJH-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-bromobutan-2-yl)-1-fluoro-2-methylbenzene
CID 82085666
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
2-(ethylamino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 62119943
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
2-(3-methoxy-4-methylphenyl)butan-1-ol
CID 139504441
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
(4-butan-2-ylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63426051
1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine
CID 63716843
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82315086
2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 62120119
4-(3,4-dimethylphenyl)hexane-1,2-diol
CID 83927968

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)butan-1-ol?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)butan-1-ol (CID 82075115) is 2-(4-fluoro-3-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)butan-1-ol?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)butan-1-ol is CCC(CO)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)butan-1-ol?
The InChIKey is DRVPOYBOOCCHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-3-9(7-13)10-4-5-11(12)8(2)6-10/h4-6,9,13H,3,7H2,1-2H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)butan-1-ol?
2-(4-fluoro-3-methylphenyl)butan-1-ol has a molecular weight of 182.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)butan-1-ol is sourced from PubChem (CID 82075115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).