1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one

C11H13ClO3 — CID 14813833

IUPAC1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one
SMILESCOCC(=O)C(OC)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO3/c1-14-7-10(13)11(15-2)8-3-5-9(12)6-4-8/h3-6,11H,7H2,1-2H3
InChIKeyQOGDABCUTCYEML-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.24
Rot. Bonds5

About 1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one

1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one (PubChem CID 14813833) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one
PubChem CID14813833
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one
SMILESCOCC(=O)C(OC)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO3/c1-14-7-10(13)11(15-2)8-3-5-9(12)6-4-8/h3-6,11H,7H2,1-2H3
InChIKeyQOGDABCUTCYEML-UHFFFAOYSA-N
XLogP2.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-1-methoxypentan-2-one
CID 83225390
(2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile
CID 41137891
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
methoxymethyl (2R)-2-(4-chlorophenyl)-2-(methoxymethoxy)acetate
CID 124672414
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
1-(4-chlorophenyl)-1-propoxypentan-2-one
CID 83225276
(4-chlorophenyl) 2-methoxyacetate
CID 849221
[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 4656134
[(1R)-1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 7067068
1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one
CID 83224446
(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
CID 86332935
(1R)-1-amino-3-methoxy-1-phenylpropan-2-one
CID 104891033

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one (CID 14813833) is 1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one is COCC(=O)C(OC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one?
The InChIKey is QOGDABCUTCYEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-14-7-10(13)11(15-2)8-3-5-9(12)6-4-8/h3-6,11H,7H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one?
1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one has a molecular weight of 228.67 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one is sourced from PubChem (CID 14813833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).