(3,5-dimethylphenyl)-(4-fluorophenyl)methanone

C15H13FO — CID 43159976

IUPAC(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H13FO/c1-10-7-11(2)9-13(8-10)15(17)12-3-5-14(16)6-4-12/h3-9H,1-2H3
InChIKeyDTGLRFXDHSWBOT-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.67
Rot. Bonds2

About (3,5-dimethylphenyl)-(4-fluorophenyl)methanone

(3,5-dimethylphenyl)-(4-fluorophenyl)methanone (PubChem CID 43159976) has the molecular formula C15H13FO and a molecular weight of 228.27 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
PubChem CID43159976
Molecular FormulaC15H13FO
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H13FO/c1-10-7-11(2)9-13(8-10)15(17)12-3-5-14(16)6-4-12/h3-9H,1-2H3
InChIKeyDTGLRFXDHSWBOT-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

bis(3,5-dimethylphenyl)methanone
CID 15640171
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694116
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
[4-(3,5-dimethylbenzoyl)phenyl] acetate
CID 24723053
[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 90132438
(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 18997592
(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone
CID 79020160
(4-fluorophenyl)-phenylmethanone
CID 161464622
(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone
CID 20687997
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4-fluorophenyl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(4-fluorophenyl)methanone (CID 43159976) is (3,5-dimethylphenyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(4-fluorophenyl)methanone is Cc1cc(C)cc(C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(4-fluorophenyl)methanone?
The InChIKey is DTGLRFXDHSWBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO/c1-10-7-11(2)9-13(8-10)15(17)12-3-5-14(16)6-4-12/h3-9H,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-(4-fluorophenyl)methanone?
(3,5-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 (3,5-dimethylphenyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 43159976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).