2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid

C15H12O5 — CID 10061771

IUPAC2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
SMILESO=C(O)c1c(O)cc(O)cc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C15H12O5/c16-11-5-2-9(3-6-11)1-4-10-7-12(17)8-13(18)14(10)15(19)20/h1-8,16-18H,(H,19,20)/b4-1+
InChIKeyHDTVHQACSKPNHE-DAFODLJHSA-N
MW272.26 g/mol
LogP2.67
Rot. Bonds3

About 2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid

2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid (PubChem CID 10061771) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
PubChem CID10061771
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
SMILESO=C(O)c1c(O)cc(O)cc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C15H12O5/c16-11-5-2-9(3-6-11)1-4-10-7-12(17)8-13(18)14(10)15(19)20/h1-8,16-18H,(H,19,20)/b4-1+
InChIKeyHDTVHQACSKPNHE-DAFODLJHSA-N
XLogP2.67
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
CID 24850536
5-[2-(4-hydroxyphenyl)ethenyl]-4-nitrobenzene-1,3-diol
CID 148920501
4-(2,2-difluoroethoxy)-2-[2-(4-fluorophenyl)ethenyl]-6-hydroxybenzoic acid
CID 175696041
2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid
CID 162893724
2-[(1Z,3E)-hepta-1,3-dienyl]-4,6-dihydroxybenzoic acid
CID 166624714
5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 1347
2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid
CID 73355896
4-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]benzoic acid
CID 170366809
3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid
CID 175310617
2-hydroxy-6-[(E)-2-naphthalen-2-ylethenyl]benzoic acid
CID 71567906
2-(2-phenylethenyl)benzene-1,4-diol
CID 54196246
2-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-4-methoxybenzoic acid
CID 122183158

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid?
The IUPAC name of 2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid (CID 10061771) is 2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid.
What is the SMILES notation for 2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid?
The canonical SMILES for 2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid is O=C(O)c1c(O)cc(O)cc1/C=C/c1ccc(O)cc1.
What is the InChIKey of 2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid?
The InChIKey is HDTVHQACSKPNHE-DAFODLJHSA-N. The full InChI is InChI=1S/C15H12O5/c16-11-5-2-9(3-6-11)1-4-10-7-12(17)8-13(18)14(10)15(19)20/h1-8,16-18H,(H,19,20)/b4-1+.
What are the key properties of 2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid?
2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid is sourced from PubChem (CID 10061771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).