1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one

C12H15ClO3 — CID 83952614

IUPAC1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one
SMILESCCOc1cc(C(=O)CC)cc(Cl)c1OC
InChIInChI=1S/C12H15ClO3/c1-4-10(14)8-6-9(13)12(15-3)11(7-8)16-5-2/h6-7H,4-5H2,1-3H3
InChIKeyRZIUQEXWFFGWKA-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.34
Rot. Bonds5

About 1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one

1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one (PubChem CID 83952614) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one
PubChem CID83952614
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one
SMILESCCOc1cc(C(=O)CC)cc(Cl)c1OC
InChIInChI=1S/C12H15ClO3/c1-4-10(14)8-6-9(13)12(15-3)11(7-8)16-5-2/h6-7H,4-5H2,1-3H3
InChIKeyRZIUQEXWFFGWKA-UHFFFAOYSA-N
XLogP3.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-ethoxy-4-methoxyphenol
CID 121210329
3-chloro-4,5-diethoxybenzoate
CID 7326781
1-(3-chloro-4,5-dimethoxyphenyl)-2-propoxyethanone
CID 79567841
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659
1-chloro-3-ethoxy-2-methoxy-5-nitrobenzene
CID 125116075
methyl 3-chloro-5-ethoxy-4-(2-methylpropoxy)benzoate
CID 83952664
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
N-(3-chloro-4,5-diethoxyphenyl)propanamide
CID 13343225
3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
CID 79334314
1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
CID 2737020
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide
CID 75266195

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one (CID 83952614) is 1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one is CCOc1cc(C(=O)CC)cc(Cl)c1OC.
What is the InChIKey of 1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one?
The InChIKey is RZIUQEXWFFGWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-4-10(14)8-6-9(13)12(15-3)11(7-8)16-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one?
1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one has a molecular weight of 242.70 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 83952614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).