2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone

C17H17ClO2 — CID 63567105

IUPAC2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone
SMILESCCc1cc(OCC(=O)c2ccccc2C)ccc1Cl
InChIInChI=1S/C17H17ClO2/c1-3-13-10-14(8-9-16(13)18)20-11-17(19)15-7-5-4-6-12(15)2/h4-10H,3,11H2,1-2H3
InChIKeyKQWFWGDPGUFVQV-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.47
Rot. Bonds5

About 2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone

2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone (PubChem CID 63567105) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone
PubChem CID63567105
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone
SMILESCCc1cc(OCC(=O)c2ccccc2C)ccc1Cl
InChIInChI=1S/C17H17ClO2/c1-3-13-10-14(8-9-16(13)18)20-11-17(19)15-7-5-4-6-12(15)2/h4-10H,3,11H2,1-2H3
InChIKeyKQWFWGDPGUFVQV-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
2-(4-chloro-3-ethylphenoxy)-N-(2-methylphenyl)acetamide
CID 18074792
2-(4-chloro-3-ethylphenoxy)-1-(3-methylphenyl)ethanone
CID 63567266
1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
CID 62032160
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone
CID 83140397
2-(4-chloro-3-ethylphenoxy)-N-phenylacetamide
CID 7642625
2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625035
2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 60973116
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7642627
2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 112775393

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone (CID 63567105) is 2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone is CCc1cc(OCC(=O)c2ccccc2C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone?
The InChIKey is KQWFWGDPGUFVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-3-13-10-14(8-9-16(13)18)20-11-17(19)15-7-5-4-6-12(15)2/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone?
2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone has a molecular weight of 288.77 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 63567105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).