1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one

C14H19ClO3 — CID 43340747

IUPAC1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one
SMILESCCOc1cc(Cl)c(C(=O)C(C)C)cc1OCC
InChIInChI=1S/C14H19ClO3/c1-5-17-12-7-10(14(16)9(3)4)11(15)8-13(12)18-6-2/h7-9H,5-6H2,1-4H3
InChIKeyOFYKVFQVBMPEAJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.98
Rot. Bonds6

About 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one

1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one (PubChem CID 43340747) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one
PubChem CID43340747
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one
SMILESCCOc1cc(Cl)c(C(=O)C(C)C)cc1OCC
InChIInChI=1S/C14H19ClO3/c1-5-17-12-7-10(14(16)9(3)4)11(15)8-13(12)18-6-2/h7-9H,5-6H2,1-4H3
InChIKeyOFYKVFQVBMPEAJ-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one 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-bromo-1-(2-chloro-4,5-diethoxyphenyl)butan-1-one
CID 63386249
2-chloro-4,5-diethoxybenzamide
CID 82268164
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
1-(2-chloro-4,5-diethoxyphenyl)prop-2-en-1-one
CID 83959394
(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
(2-chloro-4,5-diethoxyphenyl)-(2-methylcyclopropyl)methanone
CID 43162240
(E)-3-(2-chloro-4,5-diethoxyphenyl)pent-2-enoic acid
CID 83959383
3-(2-chloro-4,5-diethoxyphenyl)butanoic acid
CID 83959381
(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
CID 82268169
(2-chloro-4,5-diethoxyphenyl)-piperidin-4-ylmethanone
CID 43330615
2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide
CID 1008423

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one (CID 43340747) is 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one is CCOc1cc(Cl)c(C(=O)C(C)C)cc1OCC.
What is the InChIKey of 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one?
The InChIKey is OFYKVFQVBMPEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-5-17-12-7-10(14(16)9(3)4)11(15)8-13(12)18-6-2/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one?
1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one has a molecular weight of 270.76 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-diethoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 43340747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).