1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone

C23H19FO5 — CID 162359891

IUPAC1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone
SMILESCOc1c(C(=O)c2ccc(F)cc2)ccc(C(=O)C(O)c2ccccc2)c1OC
InChIInChI=1S/C23H19FO5/c1-28-22-17(19(25)15-8-10-16(24)11-9-15)12-13-18(23(22)29-2)21(27)20(26)14-6-4-3-5-7-14/h3-13,20,26H,1-2H3
InChIKeyNIBCTQYGJJYIAV-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.99
Rot. Bonds7

About 1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone

1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone (PubChem CID 162359891) has the molecular formula C23H19FO5 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone
PubChem CID162359891
Molecular FormulaC23H19FO5
Molecular Weight394.40 g/mol
Exact Mass394.12
IUPAC Name1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone
SMILESCOc1c(C(=O)c2ccc(F)cc2)ccc(C(=O)C(O)c2ccccc2)c1OC
InChIInChI=1S/C23H19FO5/c1-28-22-17(19(25)15-8-10-16(24)11-9-15)12-13-18(23(22)29-2)21(27)20(26)14-6-4-3-5-7-14/h3-13,20,26H,1-2H3
InChIKeyNIBCTQYGJJYIAV-UHFFFAOYSA-N
XLogP3.99
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 174661616
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 103458248
1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid
CID 70348644
2-hydroxy-1-[2-(methylamino)phenyl]-2-phenylethanone
CID 67016946
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
(4-fluorophenyl)-phenylmethanone
CID 161464622
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone
CID 129094735
diphenylmethanone;2-hydroxy-2-phenyl-1-(2,3,4,5-tetramethylphenyl)ethanone
CID 175015307
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone (CID 162359891) is 1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone is COc1c(C(=O)c2ccc(F)cc2)ccc(C(=O)C(O)c2ccccc2)c1OC.
What is the InChIKey of 1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone?
The InChIKey is NIBCTQYGJJYIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FO5/c1-28-22-17(19(25)15-8-10-16(24)11-9-15)12-13-18(23(22)29-2)21(27)20(26)14-6-4-3-5-7-14/h3-13,20,26H,1-2H3.
What are the key properties of 1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone?
1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone has a molecular weight of 394.40 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 162359891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).