2,5-dihydroxy-3,4-diphenoxybenzoic acid

C19H14O6 — CID 175281824

IUPAC2,5-dihydroxy-3,4-diphenoxybenzoic acid
SMILESO=C(O)c1cc(O)c(Oc2ccccc2)c(Oc2ccccc2)c1O
InChIInChI=1S/C19H14O6/c20-15-11-14(19(22)23)16(21)18(25-13-9-5-2-6-10-13)17(15)24-12-7-3-1-4-8-12/h1-11,20-21H,(H,22,23)
InChIKeyAAVDNWGYZWOPFL-UHFFFAOYSA-N
MW338.31 g/mol
LogP4.38
Rot. Bonds5

About 2,5-dihydroxy-3,4-diphenoxybenzoic acid

2,5-dihydroxy-3,4-diphenoxybenzoic acid (PubChem CID 175281824) has the molecular formula C19H14O6 and a molecular weight of 338.31 g/mol. Its IUPAC name is 2,5-dihydroxy-3,4-diphenoxybenzoic acid.

Molecular Properties

Compound Name2,5-dihydroxy-3,4-diphenoxybenzoic acid
PubChem CID175281824
Molecular FormulaC19H14O6
Molecular Weight338.31 g/mol
Exact Mass338.08
IUPAC Name2,5-dihydroxy-3,4-diphenoxybenzoic acid
SMILESO=C(O)c1cc(O)c(Oc2ccccc2)c(Oc2ccccc2)c1O
InChIInChI=1S/C19H14O6/c20-15-11-14(19(22)23)16(21)18(25-13-9-5-2-6-10-13)17(15)24-12-7-3-1-4-8-12/h1-11,20-21H,(H,22,23)
InChIKeyAAVDNWGYZWOPFL-UHFFFAOYSA-N
XLogP4.38
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-phenoxybenzoic acid
CID 53406644
2,3-diphenoxynaphthalene-1,4-diol
CID 19886586
1-[1-[2-(2-carboxy-4-hydroxynaphthalen-1-yl)-4-hydroxynaphthalen-1-yl]oxy-4-hydroxynaphthalen-2-yl]-4-hydroxynaphthalene-2-carboxylic acid
CID 142660456
3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid
CID 101339177
4,5-diethyl-2-phenoxybenzene-1,3-diol
CID 87448022
2-phenoxy-3-phenoxycarbonylbenzoic acid
CID 141175877
5-phenoxybenzene-1,2,3-triol
CID 14020516
acetic acid;6-chloro-2,3-diphenoxynaphthalene-1,4-diol
CID 71331804
3,5-diiodo-4-phenoxybenzoic acid
CID 54460981
dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)
CID 178181364
5-bromo-3-phenoxybenzene-1,2-diol
CID 122706591
2-hydroxynaphthalene-1,4-dicarboxylic acid
CID 70121487

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-3,4-diphenoxybenzoic acid?
The IUPAC name of 2,5-dihydroxy-3,4-diphenoxybenzoic acid (CID 175281824) is 2,5-dihydroxy-3,4-diphenoxybenzoic acid.
What is the SMILES notation for 2,5-dihydroxy-3,4-diphenoxybenzoic acid?
The canonical SMILES for 2,5-dihydroxy-3,4-diphenoxybenzoic acid is O=C(O)c1cc(O)c(Oc2ccccc2)c(Oc2ccccc2)c1O.
What is the InChIKey of 2,5-dihydroxy-3,4-diphenoxybenzoic acid?
The InChIKey is AAVDNWGYZWOPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O6/c20-15-11-14(19(22)23)16(21)18(25-13-9-5-2-6-10-13)17(15)24-12-7-3-1-4-8-12/h1-11,20-21H,(H,22,23).
What are the key properties of 2,5-dihydroxy-3,4-diphenoxybenzoic acid?
2,5-dihydroxy-3,4-diphenoxybenzoic acid has a molecular weight of 338.31 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-3,4-diphenoxybenzoic acid is sourced from PubChem (CID 175281824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).