2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc

C16H16O7Zn — CID 67821709

IUPAC2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc
SMILESCOc1ccc(OCCOc2cc(O)c(C(=O)O)c(O)c2)cc1.[Zn]
InChIInChI=1S/C16H16O7.Zn/c1-21-10-2-4-11(5-3-10)22-6-7-23-12-8-13(17)15(16(19)20)14(18)9-12;/h2-5,8-9,17-18H,6-7H2,1H3,(H,19,20);
InChIKeyBCSBECQFXZCPPK-UHFFFAOYSA-N
MW385.69 g/mol
LogP2.26
Rot. Bonds7

About 2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc

2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc (PubChem CID 67821709) has the molecular formula C16H16O7Zn and a molecular weight of 385.69 g/mol. Its IUPAC name is 2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc.

Molecular Properties

Compound Name2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc
PubChem CID67821709
Molecular FormulaC16H16O7Zn
Molecular Weight385.69 g/mol
Exact Mass384.02
IUPAC Name2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc
SMILESCOc1ccc(OCCOc2cc(O)c(C(=O)O)c(O)c2)cc1.[Zn]
InChIInChI=1S/C16H16O7.Zn/c1-21-10-2-4-11(5-3-10)22-6-7-23-12-8-13(17)15(16(19)20)14(18)9-12;/h2-5,8-9,17-18H,6-7H2,1H3,(H,19,20);
InChIKeyBCSBECQFXZCPPK-UHFFFAOYSA-N
XLogP2.26
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methoxyphenoxy)ethoxy]ethyl 2,4-dihydroxy-6-methylbenzoate
CID 19856989
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
5-[5-[4-(4-methoxyphenyl)phenoxy]pentoxy]benzene-1,3-dicarboxylic acid
CID 100977518
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
CID 63851505
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
3-tert-butyl-2-hydroxybenzoic acid;2-hydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid
CID 161441578
2-[2-(4-methoxyphenoxy)ethyl]isoindole-5-carboxylic acid
CID 94778606
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
2-(4-methoxyphenoxy)ethyl 5-chloro-2-hydroxybenzoate
CID 7787466
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc?
The IUPAC name of 2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc (CID 67821709) is 2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc.
What is the SMILES notation for 2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc?
The canonical SMILES for 2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc is COc1ccc(OCCOc2cc(O)c(C(=O)O)c(O)c2)cc1.[Zn].
What is the InChIKey of 2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc?
The InChIKey is BCSBECQFXZCPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O7.Zn/c1-21-10-2-4-11(5-3-10)22-6-7-23-12-8-13(17)15(16(19)20)14(18)9-12;/h2-5,8-9,17-18H,6-7H2,1H3,(H,19,20);.
What are the key properties of 2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc?
2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc has a molecular weight of 385.69 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-4-[2-(4-methoxyphenoxy)ethoxy]benzoic acid;zinc is sourced from PubChem (CID 67821709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).