(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone

C15H12ClFO2 — CID 64712585

IUPAC(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(Cl)c2F)cc1
InChIInChI=1S/C15H12ClFO2/c1-2-19-11-8-6-10(7-9-11)15(18)12-4-3-5-13(16)14(12)17/h3-9H,2H2,1H3
InChIKeyFPMQYWIJDJFQBP-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.11
Rot. Bonds4

About (3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone

(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone (PubChem CID 64712585) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
PubChem CID64712585
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(Cl)c2F)cc1
InChIInChI=1S/C15H12ClFO2/c1-2-19-11-8-6-10(7-9-11)15(18)12-4-3-5-13(16)14(12)17/h3-9H,2H2,1H3
InChIKeyFPMQYWIJDJFQBP-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669
3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid
CID 150759629
(3-bromo-2-fluorophenyl)-(4-butoxyphenyl)methanone
CID 106647389
(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 107957126
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 102855973
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 55748983
(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone
CID 116609755
(3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone
CID 81265163

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone (CID 64712585) is (3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cccc(Cl)c2F)cc1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone?
The InChIKey is FPMQYWIJDJFQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-2-19-11-8-6-10(7-9-11)15(18)12-4-3-5-13(16)14(12)17/h3-9H,2H2,1H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone?
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone has a molecular weight of 278.71 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 64712585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).