(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate

C16H14O6 — CID 59397478

IUPAC(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate
SMILESCOC(=O)c1ccccc1OC(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C16H14O6/c1-20-14-9-10(7-8-12(14)17)15(18)22-13-6-4-3-5-11(13)16(19)21-2/h3-9,17H,1-2H3
InChIKeyOYKKANAYHRYCBU-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.41
Rot. Bonds4

About (2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate

(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate (PubChem CID 59397478) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is (2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate
PubChem CID59397478
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate
SMILESCOC(=O)c1ccccc1OC(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C16H14O6/c1-20-14-9-10(7-8-12(14)17)15(18)22-13-6-4-3-5-11(13)16(19)21-2/h3-9,17H,1-2H3
InChIKeyOYKKANAYHRYCBU-UHFFFAOYSA-N
XLogP2.41
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
CID 139985700
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
methyl 2-(4-aminobenzoyl)oxybenzoate
CID 3031786
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
ethane;methyl 2-methoxybenzoate
CID 178037044
[3,4-bis[(4-hydroxy-3-methoxybenzoyl)oxy]phenyl] 4-hydroxy-3-methoxybenzoate
CID 101473497
methyl 2-[4-(bromomethyl)benzoyl]oxybenzoate
CID 42631900
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
(2-methoxycarbonylphenyl) pyridine-4-carboxylate
CID 786465
(2-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459016
[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
CID 59350326
benzoic acid;4-hydroxy-3-methoxybenzoic acid
CID 159798679

Frequently Asked Questions

What is the IUPAC name of (2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate?
The IUPAC name of (2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate (CID 59397478) is (2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate.
What is the SMILES notation for (2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate?
The canonical SMILES for (2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate is COC(=O)c1ccccc1OC(=O)c1ccc(O)c(OC)c1.
What is the InChIKey of (2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate?
The InChIKey is OYKKANAYHRYCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-20-14-9-10(7-8-12(14)17)15(18)22-13-6-4-3-5-11(13)16(19)21-2/h3-9,17H,1-2H3.
What are the key properties of (2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate?
(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate has a molecular weight of 302.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 59397478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).