(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone

C15H12F2O2 — CID 55101193

IUPAC(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(F)c2F)cc1C
InChIInChI=1S/C15H12F2O2/c1-9-8-10(6-7-13(9)19-2)15(18)11-4-3-5-12(16)14(11)17/h3-8H,1-2H3
InChIKeyALTWIKVWTSEPSR-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.51
Rot. Bonds3

About (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone

(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 55101193) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID55101193
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(F)c2F)cc1C
InChIInChI=1S/C15H12F2O2/c1-9-8-10(6-7-13(9)19-2)15(18)11-4-3-5-12(16)14(11)17/h3-8H,1-2H3
InChIKeyALTWIKVWTSEPSR-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Avobenzone
CID 51040
4'-Methoxyacetophenone
CID 7476
Isoflavone
CID 72304
4'-Methoxychalcone
CID 641818
3-Methylchromone
CID 66569
2'-Methoxyacetophenone
CID 68481
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
6-Methoxy-alpha-tetralone
CID 14112
4,4'-Dimethoxybenzil
CID 71043
4-Methoxychalcone
CID 641819
1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone
CID 154871
1,2-Ethanedione, 1,2-bis(3-methoxyphenyl)-
CID 123493

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone (CID 55101193) is (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)c2cccc(F)c2F)cc1C.
What is the InChIKey of (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is ALTWIKVWTSEPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-9-8-10(6-7-13(9)19-2)15(18)11-4-3-5-12(16)14(11)17/h3-8H,1-2H3.
What are the key properties of (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 262.25 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 55101193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).