1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one

C17H17ClO2 — CID 160743343

IUPAC1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one
SMILESCCOc1ccc(CC(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClO2/c1-2-20-17-8-6-13(7-9-17)11-16(19)12-14-4-3-5-15(18)10-14/h3-10H,2,11-12H2,1H3
InChIKeyRVWLGQVONFKKBL-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.09
Rot. Bonds6

About 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one

1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one (PubChem CID 160743343) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one
PubChem CID160743343
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one
SMILESCCOc1ccc(CC(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClO2/c1-2-20-17-8-6-13(7-9-17)11-16(19)12-14-4-3-5-15(18)10-14/h3-10H,2,11-12H2,1H3
InChIKeyRVWLGQVONFKKBL-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366705
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 39433553
2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241068
[3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid
CID 87190527
1-(3-chlorophenyl)-4-methylhexan-2-one
CID 62621128
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one
CID 62620945
1-(3-chlorophenyl)propan-2-one
CID 2734097
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
4-amino-1-(3-chlorophenyl)hexan-2-one
CID 116609053
N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109033241
2-(4-chlorophenyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 31467291

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one (CID 160743343) is 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one is CCOc1ccc(CC(=O)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one?
The InChIKey is RVWLGQVONFKKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-2-20-17-8-6-13(7-9-17)11-16(19)12-14-4-3-5-15(18)10-14/h3-10H,2,11-12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one?
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one has a molecular weight of 288.77 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one is sourced from PubChem (CID 160743343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).