1-(3-chlorophenyl)-2-propan-2-yloxyethanone

C11H13ClO2 — CID 43798807

IUPAC1-(3-chlorophenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-8(2)14-7-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3
InChIKeyLNJAPUKLKCEJIM-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-chlorophenyl)-2-propan-2-yloxyethanone

1-(3-chlorophenyl)-2-propan-2-yloxyethanone (PubChem CID 43798807) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-propan-2-yloxyethanone
PubChem CID43798807
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(3-chlorophenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-8(2)14-7-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3
InChIKeyLNJAPUKLKCEJIM-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-2-propan-2-yloxyethanone 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-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
CID 115019757
2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone
CID 115785301
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206
1-(3-chlorophenyl)-2-prop-2-enoxyethanone
CID 62030238
[2-(3-chlorophenyl)-2-oxoethyl] propyl carbonate
CID 141034666
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
3-chloro-N-propan-2-ylbenzamide
CID 669184
1-(3-chlorophenyl)-3,3,3-trideuteriopropan-1-one
CID 122651626
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796175

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-propan-2-yloxyethanone (CID 43798807) is 1-(3-chlorophenyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-propan-2-yloxyethanone?
The InChIKey is LNJAPUKLKCEJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(2)14-7-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-propan-2-yloxyethanone?
1-(3-chlorophenyl)-2-propan-2-yloxyethanone has a molecular weight of 212.68 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 43798807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).