(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone

C16H15FO3 — CID 105118811

IUPAC(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(C)cc(F)c2)c1OC
InChIInChI=1S/C16H15FO3/c1-10-7-11(9-12(17)8-10)15(18)13-5-4-6-14(19-2)16(13)20-3/h4-9H,1-3H3
InChIKeyFSPFWTUYZUBTIV-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.38
Rot. Bonds4

About (2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone

(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone (PubChem CID 105118811) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
PubChem CID105118811
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(C)cc(F)c2)c1OC
InChIInChI=1S/C16H15FO3/c1-10-7-11(9-12(17)8-10)15(18)13-5-4-6-14(19-2)16(13)20-3/h4-9H,1-3H3
InChIKeyFSPFWTUYZUBTIV-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

(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105122790
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
CID 107469180
[2-(difluoromethoxy)phenyl]-(3-fluoro-5-methylphenyl)methanone
CID 115787652
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115787635

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone (CID 105118811) is (2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone is COc1cccc(C(=O)c2cc(C)cc(F)c2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone?
The InChIKey is FSPFWTUYZUBTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10-7-11(9-12(17)8-10)15(18)13-5-4-6-14(19-2)16(13)20-3/h4-9H,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone?
(2,3-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 (2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 105118811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).