1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone

C12H15ClO3 — CID 62072537

IUPAC1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Cl)ccc1OCC(C)(C)O
InChIInChI=1S/C12H15ClO3/c1-8(14)10-6-9(13)4-5-11(10)16-7-12(2,3)15/h4-6,15H,7H2,1-3H3
InChIKeyKAMCHMWOFHXBSH-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.69
Rot. Bonds4

About 1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone

1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone (PubChem CID 62072537) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone
PubChem CID62072537
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Cl)ccc1OCC(C)(C)O
InChIInChI=1S/C12H15ClO3/c1-8(14)10-6-9(13)4-5-11(10)16-7-12(2,3)15/h4-6,15H,7H2,1-3H3
InChIKeyKAMCHMWOFHXBSH-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone 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

3-(2-acetyl-4-chlorophenoxy)-2,2-dimethylpropanoic acid
CID 79623384
1-[5-chloro-2-[2-(chloromethyl)prop-2-enoxy]phenyl]ethanone
CID 103066099
propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate
CID 55021490
1-[5-chloro-2-(2-methylidenebutoxy)phenyl]ethanone
CID 66046437
1-[5-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanone
CID 62073727
1-[5-(2-hydroxy-2-methylpropoxy)-2-methoxyphenyl]ethanone
CID 110017847
1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 104563243
2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 60758125
5-(2-acetyl-4-chlorophenoxy)-2,2-dimethylpentanenitrile
CID 65255690
1-[5-chloro-2-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 115646908
1-[5-chloro-2-(3-ethylsulfanylpropoxy)phenyl]ethanone
CID 115650917
5-chloro-2-(2-oxopropoxy)benzoic acid
CID 9118654

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone (CID 62072537) is 1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone is CC(=O)c1cc(Cl)ccc1OCC(C)(C)O.
What is the InChIKey of 1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone?
The InChIKey is KAMCHMWOFHXBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-8(14)10-6-9(13)4-5-11(10)16-7-12(2,3)15/h4-6,15H,7H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone?
1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone has a molecular weight of 242.70 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone is sourced from PubChem (CID 62072537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).