(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate

C17H16O5 — CID 894592

IUPAC(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
SMILESCOC(=O)c1ccc(COC(=O)c2cccc(C)c2O)cc1
InChIInChI=1S/C17H16O5/c1-11-4-3-5-14(15(11)18)17(20)22-10-12-6-8-13(9-7-12)16(19)21-2/h3-9,18H,10H2,1-2H3
InChIKeyMMWZPXIVBPEKOO-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.84
Rot. Bonds4

About (4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate

(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate (PubChem CID 894592) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
PubChem CID894592
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
SMILESCOC(=O)c1ccc(COC(=O)c2cccc(C)c2O)cc1
InChIInChI=1S/C17H16O5/c1-11-4-3-5-14(15(11)18)17(20)22-10-12-6-8-13(9-7-12)16(19)21-2/h3-9,18H,10H2,1-2H3
InChIKeyMMWZPXIVBPEKOO-UHFFFAOYSA-N
XLogP2.84
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840399
(4-methylsulfanylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578471
methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 895058
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416041
methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate
CID 169094954
(4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate
CID 27910928
(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2488136
methyl 4-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]oxymethyl]benzoate
CID 8848612

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate (CID 894592) is (4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate is COC(=O)c1ccc(COC(=O)c2cccc(C)c2O)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate?
The InChIKey is MMWZPXIVBPEKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-11-4-3-5-14(15(11)18)17(20)22-10-12-6-8-13(9-7-12)16(19)21-2/h3-9,18H,10H2,1-2H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate?
(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate has a molecular weight of 300.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 894592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).