benzyl 2-(3-hydroxypropanoyl)benzoate

C17H16O4 — CID 164827518

IUPACbenzyl 2-(3-hydroxypropanoyl)benzoate
SMILESO=C(CCO)c1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C17H16O4/c18-11-10-16(19)14-8-4-5-9-15(14)17(20)21-12-13-6-2-1-3-7-13/h1-9,18H,10-12H2
InChIKeyPUPNOTSNMQXHQB-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.61
Rot. Bonds6

About benzyl 2-(3-hydroxypropanoyl)benzoate

benzyl 2-(3-hydroxypropanoyl)benzoate (PubChem CID 164827518) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is benzyl 2-(3-hydroxypropanoyl)benzoate.

Molecular Properties

Compound Namebenzyl 2-(3-hydroxypropanoyl)benzoate
PubChem CID164827518
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namebenzyl 2-(3-hydroxypropanoyl)benzoate
SMILESO=C(CCO)c1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C17H16O4/c18-11-10-16(19)14-8-4-5-9-15(14)17(20)21-12-13-6-2-1-3-7-13/h1-9,18H,10-12H2
InChIKeyPUPNOTSNMQXHQB-UHFFFAOYSA-N
XLogP2.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
1-O-benzyl 2-O-phosphono benzene-1,2-dicarboxylate
CID 57186966
bis(4-methylpentan-2-yl) benzene-1,2-dicarboxylate;dibenzyl benzene-1,2-dicarboxylate
CID 175392349
benzyl benzoate
CID 2345
5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
CID 70424833
dibenzyl 4-bromobenzene-1,2-dicarboxylate
CID 23134371
benzyl 2,3-difluorobenzoate
CID 62867579
benzyl 2-(dimethylamino)benzoate
CID 58143131
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate;dipropyl benzene-1,2-dicarboxylate
CID 158248941
azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid
CID 172697544
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-hydroxypropanoyl)benzoate?
The IUPAC name of benzyl 2-(3-hydroxypropanoyl)benzoate (CID 164827518) is benzyl 2-(3-hydroxypropanoyl)benzoate.
What is the SMILES notation for benzyl 2-(3-hydroxypropanoyl)benzoate?
The canonical SMILES for benzyl 2-(3-hydroxypropanoyl)benzoate is O=C(CCO)c1ccccc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(3-hydroxypropanoyl)benzoate?
The InChIKey is PUPNOTSNMQXHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c18-11-10-16(19)14-8-4-5-9-15(14)17(20)21-12-13-6-2-1-3-7-13/h1-9,18H,10-12H2.
What are the key properties of benzyl 2-(3-hydroxypropanoyl)benzoate?
benzyl 2-(3-hydroxypropanoyl)benzoate has a molecular weight of 284.31 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-hydroxypropanoyl)benzoate is sourced from PubChem (CID 164827518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).