1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone

C15H13FO3 — CID 103458248

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
SMILESCOc1cccc(C(=O)C(O)c2ccccc2)c1F
InChIInChI=1S/C15H13FO3/c1-19-12-9-5-8-11(13(12)16)15(18)14(17)10-6-3-2-4-7-10/h2-9,14,17H,1H3
InChIKeyVWLJUDNTHRESQM-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.75
Rot. Bonds4

About 1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone

1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone (PubChem CID 103458248) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
PubChem CID103458248
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
SMILESCOc1cccc(C(=O)C(O)c2ccccc2)c1F
InChIInChI=1S/C15H13FO3/c1-19-12-9-5-8-11(13(12)16)15(18)14(17)10-6-3-2-4-7-10/h2-9,14,17H,1H3
InChIKeyVWLJUDNTHRESQM-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 174661616
1-(2,3-dimethoxyphenyl)-2-hydroxy-2-phenylethanone;prop-2-enoic acid
CID 70348644
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone
CID 82808492
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
1-[4-(4-fluorobenzoyl)-2,3-dimethoxyphenyl]-2-hydroxy-2-phenylethanone
CID 162359891
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
2-hydroxy-2-phenyl-1-[2-(1-phenylethoxy)phenyl]ethanone
CID 175347432
2-(2-fluoro-3-methoxyphenyl)but-2-enoic acid
CID 174955352
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 82807864
3-bromo-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 134658322

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone (CID 103458248) is 1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone is COc1cccc(C(=O)C(O)c2ccccc2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone?
The InChIKey is VWLJUDNTHRESQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-19-12-9-5-8-11(13(12)16)15(18)14(17)10-6-3-2-4-7-10/h2-9,14,17H,1H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone?
1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone has a molecular weight of 260.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 103458248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).