2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid

C17H16O6 — CID 10860036

IUPAC2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid
SMILESCOc1cc(C)c(C(=O)O)c(O)c1C(=O)OCc1ccccc1
InChIInChI=1S/C17H16O6/c1-10-8-12(22-2)14(15(18)13(10)16(19)20)17(21)23-9-11-6-4-3-5-7-11/h3-8,18H,9H2,1-2H3,(H,19,20)
InChIKeyFORLPAOOSIDMNP-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.76
Rot. Bonds5

About 2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid

2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid (PubChem CID 10860036) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid
PubChem CID10860036
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid
SMILESCOc1cc(C)c(C(=O)O)c(O)c1C(=O)OCc1ccccc1
InChIInChI=1S/C17H16O6/c1-10-8-12(22-2)14(15(18)13(10)16(19)20)17(21)23-9-11-6-4-3-5-7-11/h3-8,18H,9H2,1-2H3,(H,19,20)
InChIKeyFORLPAOOSIDMNP-UHFFFAOYSA-N
XLogP2.76
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
benzyl 4-hydroxy-2-methoxy-6-pentylbenzoate
CID 11088753
dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate
CID 170190396
methoxymethyl 2-[(2-hydroxy-3,6-dimethyl-4-phenylmethoxybenzoyl)oxymethyl]-3,5,6-trimethylbenzoate
CID 177152802
2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
CID 151960724
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
benzyl 2-hydroxy-6-sulfanylbenzoate
CID 57290903
benzyl 2-methoxy-6-(trifluoromethylsulfonyloxy)benzoate
CID 22626111
benzyl 2-(2-amino-3-phenylpropoxy)-4,6-dimethoxybenzoate;hydrochloride
CID 175481443
5-bromo-2-hydroxy-4-[2-(2-methoxy-6-methyl-4-phenylmethoxyphenyl)-2-oxoethyl]-3,6-dimethylbenzoic acid
CID 177152971
phenyl 3-methoxy-2,5-dimethyl-6-phenylmethoxybenzoate
CID 88854777

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid?
The IUPAC name of 2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid (CID 10860036) is 2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid.
What is the SMILES notation for 2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid?
The canonical SMILES for 2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid is COc1cc(C)c(C(=O)O)c(O)c1C(=O)OCc1ccccc1.
What is the InChIKey of 2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid?
The InChIKey is FORLPAOOSIDMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c1-10-8-12(22-2)14(15(18)13(10)16(19)20)17(21)23-9-11-6-4-3-5-7-11/h3-8,18H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid?
2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid has a molecular weight of 316.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid is sourced from PubChem (CID 10860036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).