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

C15H13FO3 — CID 105078663

IUPAC(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(F)cc2)c1OC
InChIInChI=1S/C15H13FO3/c1-18-13-5-3-4-12(15(13)19-2)14(17)10-6-8-11(16)9-7-10/h3-9H,1-2H3
InChIKeyOPYGUWSQQWGQSM-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.07
Rot. Bonds4

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

(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone (PubChem CID 105078663) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
PubChem CID105078663
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(F)cc2)c1OC
InChIInChI=1S/C15H13FO3/c1-18-13-5-3-4-12(15(13)19-2)14(17)10-6-8-11(16)9-7-10/h3-9H,1-2H3
InChIKeyOPYGUWSQQWGQSM-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone
CID 162359891
(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105122790
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
2,3-dimethoxybenzamide;hydrate
CID 141005510
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone
CID 86047213
[5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone
CID 141114249

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone (CID 105078663) is (2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone is COc1cccc(C(=O)c2ccc(F)cc2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone?
The InChIKey is OPYGUWSQQWGQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-18-13-5-3-4-12(15(13)19-2)14(17)10-6-8-11(16)9-7-10/h3-9H,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone?
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone has a molecular weight of 260.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 105078663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).