(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone

C16H14ClFO2 — CID 107998309

IUPAC(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H14ClFO2/c1-3-20-15-7-4-10(2)8-12(15)16(19)11-5-6-13(17)14(18)9-11/h4-9H,3H2,1-2H3
InChIKeyHGJAYGVFTOBBMF-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.42
Rot. Bonds4

About (4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone

(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone (PubChem CID 107998309) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
PubChem CID107998309
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H14ClFO2/c1-3-20-15-7-4-10(2)8-12(15)16(19)11-5-6-13(17)14(18)9-11/h4-9H,3H2,1-2H3
InChIKeyHGJAYGVFTOBBMF-UHFFFAOYSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 104656857
(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107096172
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919039
(5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 106683820
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone
CID 62301805
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
CID 115000096

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone?
The IUPAC name of (4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone (CID 107998309) is (4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone is CCOc1ccc(C)cc1C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone?
The InChIKey is HGJAYGVFTOBBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-3-20-15-7-4-10(2)8-12(15)16(19)11-5-6-13(17)14(18)9-11/h4-9H,3H2,1-2H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone?
(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone has a molecular weight of 292.74 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone is sourced from PubChem (CID 107998309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).