(2,3-dimethylphenyl)-(4-fluorophenyl)methanone

C15H13FO — CID 43159951

IUPAC(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C15H13FO/c1-10-4-3-5-14(11(10)2)15(17)12-6-8-13(16)9-7-12/h3-9H,1-2H3
InChIKeyPEDYKGFXQALZJP-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.67
Rot. Bonds2

About (2,3-dimethylphenyl)-(4-fluorophenyl)methanone

(2,3-dimethylphenyl)-(4-fluorophenyl)methanone (PubChem CID 43159951) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
PubChem CID43159951
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C15H13FO/c1-10-4-3-5-14(11(10)2)15(17)12-6-8-13(16)9-7-12/h3-9H,1-2H3
InChIKeyPEDYKGFXQALZJP-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 79020544
3-(4-fluorobenzoyl)-2-methylbenzenediazonium
CID 21495657
3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride
CID 21495656
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
(2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone
CID 63748897
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
(2,3-dimethylphenyl) 4-fluorobenzoate
CID 837549
(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114970147
4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one
CID 13193099

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(4-fluorophenyl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(4-fluorophenyl)methanone (CID 43159951) is (2,3-dimethylphenyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(4-fluorophenyl)methanone is Cc1cccc(C(=O)c2ccc(F)cc2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(4-fluorophenyl)methanone?
The InChIKey is PEDYKGFXQALZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c1-10-4-3-5-14(11(10)2)15(17)12-6-8-13(16)9-7-12/h3-9H,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-(4-fluorophenyl)methanone?
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone has a molecular weight of 228.27 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 43159951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).