methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate

C22H18O5 — CID 169094954

IUPACmethyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate
SMILESCOC(=O)c1cccc(-c2ccccc2C(=O)OCc2ccccc2)c1O
InChIInChI=1S/C22H18O5/c1-26-21(24)19-13-7-12-17(20(19)23)16-10-5-6-11-18(16)22(25)27-14-15-8-3-2-4-9-15/h2-13,23H,14H2,1H3
InChIKeyXWQNHNDCXHXDRZ-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.20
Rot. Bonds5

About methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate

methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate (PubChem CID 169094954) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate
PubChem CID169094954
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Namemethyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate
SMILESCOC(=O)c1cccc(-c2ccccc2C(=O)OCc2ccccc2)c1O
InChIInChI=1S/C22H18O5/c1-26-21(24)19-13-7-12-17(20(19)23)16-10-5-6-11-18(16)22(25)27-14-15-8-3-2-4-9-15/h2-13,23H,14H2,1H3
InChIKeyXWQNHNDCXHXDRZ-UHFFFAOYSA-N
XLogP4.20
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate
CID 170993079
(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 894592
methyl 2-hydroxy-3-(3-phenylpropyl)benzoate
CID 16754223
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid
CID 70011966
benzyl 2,3-difluorobenzoate
CID 62867579
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
benzyl 9-oxofluorene-4-carboxylate
CID 21241008
benzyl 2-hydroxy-5-methyl-3-phenylbenzoate
CID 59014793
copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate?
The IUPAC name of methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate (CID 169094954) is methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate?
The canonical SMILES for methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate is COC(=O)c1cccc(-c2ccccc2C(=O)OCc2ccccc2)c1O.
What is the InChIKey of methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate?
The InChIKey is XWQNHNDCXHXDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-26-21(24)19-13-7-12-17(20(19)23)16-10-5-6-11-18(16)22(25)27-14-15-8-3-2-4-9-15/h2-13,23H,14H2,1H3.
What are the key properties of methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate?
methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate has a molecular weight of 362.38 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate is sourced from PubChem (CID 169094954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).