2-chloro-3-fluoro-4-propan-2-ylphenol

C9H10ClFO — CID 137471064

IUPAC2-chloro-3-fluoro-4-propan-2-ylphenol
SMILESCC(C)c1ccc(O)c(Cl)c1F
InChIInChI=1S/C9H10ClFO/c1-5(2)6-3-4-7(12)8(10)9(6)11/h3-5,12H,1-2H3
InChIKeyXLWKSVDEAFYLAQ-UHFFFAOYSA-N
MW188.63 g/mol
LogP3.31
Rot. Bonds1

About 2-chloro-3-fluoro-4-propan-2-ylphenol

2-chloro-3-fluoro-4-propan-2-ylphenol (PubChem CID 137471064) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 2-chloro-3-fluoro-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-chloro-3-fluoro-4-propan-2-ylphenol
PubChem CID137471064
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name2-chloro-3-fluoro-4-propan-2-ylphenol
SMILESCC(C)c1ccc(O)c(Cl)c1F
InChIInChI=1S/C9H10ClFO/c1-5(2)6-3-4-7(12)8(10)9(6)11/h3-5,12H,1-2H3
InChIKeyXLWKSVDEAFYLAQ-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Chloro-4-Phenylphenol
CID 7074
2-Chloro-4,5-dimethylphenol
CID 70754
3,3'-Dichlorobisphenol A
CID 66238
2-Chloro-4-methylphenol
CID 14851
2-Chloro-4-nonylphenol
CID 43176
4-tert-Butyl-2-chlorophenol
CID 7380
2-Phenyl-6-chlorophenol
CID 61529
4-Benzyl-2-chlorophenol
CID 95094
2-Chloro-4-(1,1,3,3-tetramethylbutyl)phenol
CID 28396
Phenol, 2,6-dichloro-4-octyl-
CID 52833
4-Tert-butyl-2,6-dichlorophenol
CID 36864
4-Hydroxy-3,5-dichlorobiphenyl
CID 70820

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-4-propan-2-ylphenol?
The IUPAC name of 2-chloro-3-fluoro-4-propan-2-ylphenol (CID 137471064) is 2-chloro-3-fluoro-4-propan-2-ylphenol.
What is the SMILES notation for 2-chloro-3-fluoro-4-propan-2-ylphenol?
The canonical SMILES for 2-chloro-3-fluoro-4-propan-2-ylphenol is CC(C)c1ccc(O)c(Cl)c1F.
What is the InChIKey of 2-chloro-3-fluoro-4-propan-2-ylphenol?
The InChIKey is XLWKSVDEAFYLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c1-5(2)6-3-4-7(12)8(10)9(6)11/h3-5,12H,1-2H3.
What are the key properties of 2-chloro-3-fluoro-4-propan-2-ylphenol?
2-chloro-3-fluoro-4-propan-2-ylphenol has a molecular weight of 188.63 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-4-propan-2-ylphenol is sourced from PubChem (CID 137471064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).