ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate

C16H16O5 — CID 10779697

IUPACethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate
SMILESCCOC(=O)c1c(O)cc(O)cc1-c1cccc(OC)c1
InChIInChI=1S/C16H16O5/c1-3-21-16(19)15-13(8-11(17)9-14(15)18)10-5-4-6-12(7-10)20-2/h4-9,17-18H,3H2,1-2H3
InChIKeyAFCCGOLWIQMWPQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.95
Rot. Bonds4

About ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate

ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate (PubChem CID 10779697) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate.

Molecular Properties

Compound Nameethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate
PubChem CID10779697
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Nameethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate
SMILESCCOC(=O)c1c(O)cc(O)cc1-c1cccc(OC)c1
InChIInChI=1S/C16H16O5/c1-3-21-16(19)15-13(8-11(17)9-14(15)18)10-5-4-6-12(7-10)20-2/h4-9,17-18H,3H2,1-2H3
InChIKeyAFCCGOLWIQMWPQ-UHFFFAOYSA-N
XLogP2.95
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate
CID 70178605
2-(3-methoxyphenyl)benzene-1,4-diol
CID 83534427
[2-(3-methoxyphenyl)phenyl]methyl propanoate
CID 57074260
3-ethoxycarbonyl-2-(3-methoxyphenyl)benzoic acid
CID 169449752
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate
CID 11425494
5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol
CID 67689440
ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 23282732
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate
CID 132539283

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate?
The IUPAC name of ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate (CID 10779697) is ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate.
What is the SMILES notation for ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate?
The canonical SMILES for ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate is CCOC(=O)c1c(O)cc(O)cc1-c1cccc(OC)c1.
What is the InChIKey of ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate?
The InChIKey is AFCCGOLWIQMWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-3-21-16(19)15-13(8-11(17)9-14(15)18)10-5-4-6-12(7-10)20-2/h4-9,17-18H,3H2,1-2H3.
What are the key properties of ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate?
ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate has a molecular weight of 288.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate is sourced from PubChem (CID 10779697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).