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

C16H15FO4 — CID 43588922

IUPAC(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C16H15FO4/c1-19-13-9-8-12(15(20-2)16(13)21-3)14(18)10-4-6-11(17)7-5-10/h4-9H,1-3H3
InChIKeyBYJYKNPGADWBOH-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.08
Rot. Bonds5

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

(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 43588922) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
PubChem CID43588922
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)cc2)c(OC)c1OC
InChIInChI=1S/C16H15FO4/c1-19-13-9-8-12(15(20-2)16(13)21-3)14(18)10-4-6-11(17)7-5-10/h4-9H,1-3H3
InChIKeyBYJYKNPGADWBOH-UHFFFAOYSA-N
XLogP3.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone
CID 43588954
1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone
CID 162359891
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032
(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
CID 56666166
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
(Z)-3-(4-fluorophenyl)-2-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
CID 83955702
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(4-benzoylphenyl) 2,3,4-trimethoxybenzoate
CID 9095487

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone (CID 43588922) is (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(F)cc2)c(OC)c1OC.
What is the InChIKey of (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is BYJYKNPGADWBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-19-13-9-8-12(15(20-2)16(13)21-3)14(18)10-4-6-11(17)7-5-10/h4-9H,1-3H3.
What are the key properties of (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone?
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 290.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 43588922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).