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

C11H14ClFO — CID 107128525

IUPAC4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol
SMILESCc1ccc(C(O)CCCCl)cc1F
InChIInChI=1S/C11H14ClFO/c1-8-4-5-9(7-10(8)13)11(14)3-2-6-12/h4-5,7,11,14H,2-3,6H2,1H3
InChIKeyZNELEPWTUOMIGF-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.19
Rot. Bonds4

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

4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol (PubChem CID 107128525) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol
PubChem CID107128525
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol
SMILESCc1ccc(C(O)CCCCl)cc1F
InChIInChI=1S/C11H14ClFO/c1-8-4-5-9(7-10(8)13)11(14)3-2-6-12/h4-5,7,11,14H,2-3,6H2,1H3
InChIKeyZNELEPWTUOMIGF-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 62608212
3-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128201
1-(3-fluoro-4-methylphenyl)-2-(2-fluorophenyl)ethanol
CID 60798295
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
1-(3-fluoro-4-methylphenyl)-3-methylbut-3-en-1-ol
CID 79177359
(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
CID 26595281
butyl 4-(3-fluoro-4-methylphenyl)-4-hydroxybutanoate
CID 63645344
2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol
CID 79568215
2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 55096088
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol?
The IUPAC name of 4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol (CID 107128525) is 4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol.
What is the SMILES notation for 4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol?
The canonical SMILES for 4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol is Cc1ccc(C(O)CCCCl)cc1F.
What is the InChIKey of 4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol?
The InChIKey is ZNELEPWTUOMIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-8-4-5-9(7-10(8)13)11(14)3-2-6-12/h4-5,7,11,14H,2-3,6H2,1H3.
What are the key properties of 4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol?
4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol has a molecular weight of 216.68 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol is sourced from PubChem (CID 107128525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).