1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone

C15H12F2O3 — CID 174661616

IUPAC1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
SMILESCOc1c(F)ccc(C(=O)C(O)c2ccccc2)c1F
InChIInChI=1S/C15H12F2O3/c1-20-15-11(16)8-7-10(12(15)17)14(19)13(18)9-5-3-2-4-6-9/h2-8,13,18H,1H3
InChIKeyHIRBPSUNNDMPSG-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.89
Rot. Bonds4

About 1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone

1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone (PubChem CID 174661616) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
PubChem CID174661616
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
SMILESCOc1c(F)ccc(C(=O)C(O)c2ccccc2)c1F
InChIInChI=1S/C15H12F2O3/c1-20-15-11(16)8-7-10(12(15)17)14(19)13(18)9-5-3-2-4-6-9/h2-8,13,18H,1H3
InChIKeyHIRBPSUNNDMPSG-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 103458248
1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164895051
1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone
CID 162359891
1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid
CID 70348644
1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone
CID 67942436
2-[2-(2-hydroxy-2-phenylacetyl)phenyl]acetic acid
CID 69479306
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576
2-hydroxy-2-phenyl-1-[2-(1-phenylethoxy)phenyl]ethanone
CID 175347432
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
2-hydroxy-1-[2-(methylamino)phenyl]-2-phenylethanone
CID 67016946
1-[2-(dimethylamino)phenyl]-2-hydroxy-2-phenylethanone
CID 18330797

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone (CID 174661616) is 1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone is COc1c(F)ccc(C(=O)C(O)c2ccccc2)c1F.
What is the InChIKey of 1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone?
The InChIKey is HIRBPSUNNDMPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-20-15-11(16)8-7-10(12(15)17)14(19)13(18)9-5-3-2-4-6-9/h2-8,13,18H,1H3.
What are the key properties of 1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone?
1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone has a molecular weight of 278.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 174661616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).