(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone

C16H14ClFO3 — CID 81481073

IUPAC(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2cccc(C)c2F)cc1OC
InChIInChI=1S/C16H14ClFO3/c1-9-5-4-6-10(15(9)18)16(19)11-7-13(20-2)14(21-3)8-12(11)17/h4-8H,1-3H3
InChIKeyHILVIVWSKNWALR-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.04
Rot. Bonds4

About (2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone

(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81481073) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
PubChem CID81481073
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2cccc(C)c2F)cc1OC
InChIInChI=1S/C16H14ClFO3/c1-9-5-4-6-10(15(9)18)16(19)11-7-13(20-2)14(21-3)8-12(11)17/h4-8H,1-3H3
InChIKeyHILVIVWSKNWALR-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
CID 81047587
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 64714149
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
N-(4-chloro-3-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 107271805
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone (CID 81481073) is (2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone is COc1cc(Cl)c(C(=O)c2cccc(C)c2F)cc1OC.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is HILVIVWSKNWALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-9-5-4-6-10(15(9)18)16(19)11-7-13(20-2)14(21-3)8-12(11)17/h4-8H,1-3H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone?
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 308.74 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81481073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).