2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone

C16H14ClFO2 — CID 115983474

IUPAC2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone
SMILESCCOc1cccc(C(=O)Cc2cccc(F)c2Cl)c1
InChIInChI=1S/C16H14ClFO2/c1-2-20-13-7-3-5-11(9-13)15(19)10-12-6-4-8-14(18)16(12)17/h3-9H,2,10H2,1H3
InChIKeyNZCPBNRFDRWSJM-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.30
Rot. Bonds5

About 2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone

2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone (PubChem CID 115983474) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone
PubChem CID115983474
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone
SMILESCCOc1cccc(C(=O)Cc2cccc(F)c2Cl)c1
InChIInChI=1S/C16H14ClFO2/c1-2-20-13-7-3-5-11(9-13)15(19)10-12-6-4-8-14(18)16(12)17/h3-9H,2,10H2,1H3
InChIKeyNZCPBNRFDRWSJM-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 112653250
1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone
CID 112549927
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 115797460
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
3-(3-ethoxyphenyl)-3-oxopropanal
CID 55266464
2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115797451
(2-amino-3-fluorophenyl)-(3-ethoxyphenyl)methanone
CID 116597765
2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 112653415
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone (CID 115983474) is 2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone is CCOc1cccc(C(=O)Cc2cccc(F)c2Cl)c1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone?
The InChIKey is NZCPBNRFDRWSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-2-20-13-7-3-5-11(9-13)15(19)10-12-6-4-8-14(18)16(12)17/h3-9H,2,10H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone?
2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone has a molecular weight of 292.74 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone is sourced from PubChem (CID 115983474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).