2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone

C16H15ClO3 — CID 82267164

IUPAC2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone
SMILESCCOc1ccc(Oc2ccccc2)cc1C(=O)CCl
InChIInChI=1S/C16H15ClO3/c1-2-19-16-9-8-13(10-14(16)15(18)11-17)20-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyBJMAHNMEVRZVMJ-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.30
Rot. Bonds6

About 2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone

2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone (PubChem CID 82267164) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone
PubChem CID82267164
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone
SMILESCCOc1ccc(Oc2ccccc2)cc1C(=O)CCl
InChIInChI=1S/C16H15ClO3/c1-2-19-16-9-8-13(10-14(16)15(18)11-17)20-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyBJMAHNMEVRZVMJ-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxy-5-phenoxyphenyl)-4-oxobutanoic acid
CID 82267158
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161
2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone
CID 82553894
(2-ethoxy-5-phenoxyphenyl)methanamine
CID 82267172
ethyl 4-[5-(4-methylphenoxy)-2-phenylmethoxyphenyl]-4-oxobutanoate
CID 162742859
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
2-ethoxy-5-phenoxybenzenesulfonamide
CID 155234436
N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine
CID 82552134
propan-2-yl 5-phenoxy-2-propoxybenzoate
CID 82552129
(E)-4-oxo-4-(5-phenoxy-2-propoxyphenyl)but-2-enoic acid
CID 82267193
2-chloroacetic acid;ethoxybenzene
CID 174963019
1-(2,5-diethoxyphenyl)ethanone
CID 4075332

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone?
The IUPAC name of 2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone (CID 82267164) is 2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone is CCOc1ccc(Oc2ccccc2)cc1C(=O)CCl.
What is the InChIKey of 2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone?
The InChIKey is BJMAHNMEVRZVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-2-19-16-9-8-13(10-14(16)15(18)11-17)20-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of 2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone?
2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone has a molecular weight of 290.75 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone is sourced from PubChem (CID 82267164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).