methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate

C17H16O5 — CID 171865066

IUPACmethyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H16O5/c1-22-17(21)16(20)15(19)13-10-6-5-9-12(13)14(18)11-7-3-2-4-8-11/h2-10,15-16,19-20H,1H3
InChIKeyCVWZRXSQHGWMEV-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.48
Rot. Bonds5

About methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate

methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate (PubChem CID 171865066) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate
PubChem CID171865066
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Namemethyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H16O5/c1-22-17(21)16(20)15(19)13-10-6-5-9-12(13)14(18)11-7-3-2-4-8-11/h2-10,15-16,19-20H,1H3
InChIKeyCVWZRXSQHGWMEV-UHFFFAOYSA-N
XLogP1.48
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
methyl (2R,3S)-3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanoate
CID 150198821
ethyl 4-(2-benzoylphenyl)-3,4-dihydroxybutanoate
CID 171898395
phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone
CID 170818848
methyl 2,3-dihydroxy-3-(1-oxo-2,3-dihydroinden-4-yl)propanoate
CID 171864253
4-(2-benzoylphenyl)-3,4-dihydroxybutanoic acid
CID 171878688
methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate
CID 171864626
2-[2-(1,2-dihydroxy-3-methoxy-3-oxopropyl)phenoxy]acetic acid
CID 171864656
methyl (2S,3R)-2,3-dihydroxy-3-(2-nitrophenyl)propanoate
CID 90019008
3-(2-benzoylphenyl)butan-2-one
CID 69061840
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644
methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171863620

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate (CID 171865066) is methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate?
The InChIKey is CVWZRXSQHGWMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-22-17(21)16(20)15(19)13-10-6-5-9-12(13)14(18)11-7-3-2-4-8-11/h2-10,15-16,19-20H,1H3.
What are the key properties of methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate?
methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate has a molecular weight of 300.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).