2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid

C16H16O6 — CID 67375658

IUPAC2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid
SMILESCc1cc(O)ccc1OCCOc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C16H16O6/c1-10-8-11(17)2-5-15(10)22-7-6-21-12-3-4-13(16(19)20)14(18)9-12/h2-5,8-9,17-18H,6-7H2,1H3,(H,19,20)
InChIKeyXPPPUQPLRPJNHJ-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.56
Rot. Bonds6

About 2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid

2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid (PubChem CID 67375658) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid
PubChem CID67375658
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid
SMILESCc1cc(O)ccc1OCCOc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C16H16O6/c1-10-8-11(17)2-5-15(10)22-7-6-21-12-3-4-13(16(19)20)14(18)9-12/h2-5,8-9,17-18H,6-7H2,1H3,(H,19,20)
InChIKeyXPPPUQPLRPJNHJ-UHFFFAOYSA-N
XLogP2.56
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857045
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 19857055
2-butoxy-4-hydroxybenzoic acid
CID 70316659
3,4-dimethylphenol;4-hydroxyphthalic acid;4-(2-phenoxyethoxy)phthalic acid;propoxybenzene
CID 159585688
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-4-methylbenzoic acid
CID 175656787
2,4-dihydroxybenzoic acid
CID 1491
2-hydroxy-4-(3-nitrooxypropoxy)benzoic acid
CID 59448732

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid?
The IUPAC name of 2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid (CID 67375658) is 2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid is Cc1cc(O)ccc1OCCOc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid?
The InChIKey is XPPPUQPLRPJNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-10-8-11(17)2-5-15(10)22-7-6-21-12-3-4-13(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-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid?
2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid has a molecular weight of 304.30 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 67375658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).