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

C16H15FO3 — CID 79020421

IUPAC(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)cc(F)c2)cc1OC
InChIInChI=1S/C16H15FO3/c1-10-6-12(8-13(17)7-10)16(18)11-4-5-14(19-2)15(9-11)20-3/h4-9H,1-3H3
InChIKeyHICDXZQBRLTFRY-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.38
Rot. Bonds4

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

(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone (PubChem CID 79020421) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
PubChem CID79020421
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)cc(F)c2)cc1OC
InChIInChI=1S/C16H15FO3/c1-10-6-12(8-13(17)7-10)16(18)11-4-5-14(19-2)15(9-11)20-3/h4-9H,1-3H3
InChIKeyHICDXZQBRLTFRY-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115787635
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone
CID 170985664
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718
N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 24645355
(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017
(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104850964
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694116

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone (CID 79020421) is (3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone is COc1ccc(C(=O)c2cc(C)cc(F)c2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone?
The InChIKey is HICDXZQBRLTFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10-6-12(8-13(17)7-10)16(18)11-4-5-14(19-2)15(9-11)20-3/h4-9H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone?
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone has a molecular weight of 274.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 79020421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).