2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol

C11H14ClFO — CID 117308722

IUPAC2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
SMILESCc1cc(F)c(Cl)cc1C(C)(C)CO
InChIInChI=1S/C11H14ClFO/c1-7-4-10(13)9(12)5-8(7)11(2,3)6-14/h4-5,14H,6H2,1-3H3
InChIKeyJQIKFJQOCSKKJP-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.06
Rot. Bonds2

About 2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol

2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol (PubChem CID 117308722) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
PubChem CID117308722
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
SMILESCc1cc(F)c(Cl)cc1C(C)(C)CO
InChIInChI=1S/C11H14ClFO/c1-7-4-10(13)9(12)5-8(7)11(2,3)6-14/h4-5,14H,6H2,1-3H3
InChIKeyJQIKFJQOCSKKJP-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-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

2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311601
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117445061
1,2-ditert-butyl-4-chloro-5-fluorobenzene
CID 130260554
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117303450
2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
CID 117288132
2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117308713
2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117363935
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117337246

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol (CID 117308722) is 2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol is Cc1cc(F)c(Cl)cc1C(C)(C)CO.
What is the InChIKey of 2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is JQIKFJQOCSKKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-7-4-10(13)9(12)5-8(7)11(2,3)6-14/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol?
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 216.68 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117308722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).