1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol

C11H14ClFO — CID 63082094

IUPAC1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFO/c1-7(2)5-11(14)9-4-3-8(12)6-10(9)13/h3-4,6-7,11,14H,5H2,1-2H3
InChIKeyOYCCWEONSJFIIY-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.56
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol

1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol (PubChem CID 63082094) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
PubChem CID63082094
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H14ClFO/c1-7(2)5-11(14)9-4-3-8(12)6-10(9)13/h3-4,6-7,11,14H,5H2,1-2H3
InChIKeyOYCCWEONSJFIIY-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-1-ol
CID 79177590
(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171236858
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol
CID 167001188
1-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)ethanol
CID 63016785
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol
CID 116504660
1-(2-chloro-4-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 81045782
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol (CID 63082094) is 1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol is CC(C)CC(O)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol?
The InChIKey is OYCCWEONSJFIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-7(2)5-11(14)9-4-3-8(12)6-10(9)13/h3-4,6-7,11,14H,5H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol?
1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol has a molecular weight of 216.68 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 63082094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).