1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one

C17H16F2O2 — CID 114965782

IUPAC1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
SMILESCOc1ccc(C)cc1CC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2O2/c1-11-3-6-17(21-2)13(7-11)10-14(20)8-12-4-5-15(18)16(19)9-12/h3-7,9H,8,10H2,1-2H3
InChIKeyZATNDNPZCOMPAP-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.64
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one

1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one (PubChem CID 114965782) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
PubChem CID114965782
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
SMILESCOc1ccc(C)cc1CC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2O2/c1-11-3-6-17(21-2)13(7-11)10-14(20)8-12-4-5-15(18)16(19)9-12/h3-7,9H,8,10H2,1-2H3
InChIKeyZATNDNPZCOMPAP-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propan-2-one
CID 62159649
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one
CID 116572089
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79522962
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one
CID 62620945
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62829143
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diaminophenyl)propan-2-one
CID 165039286
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one (CID 114965782) is 1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one is COc1ccc(C)cc1CC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one?
The InChIKey is ZATNDNPZCOMPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-11-3-6-17(21-2)13(7-11)10-14(20)8-12-4-5-15(18)16(19)9-12/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one?
1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one has a molecular weight of 290.31 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one is sourced from PubChem (CID 114965782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).