3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol

C14H12O4 — CID 66873730

IUPAC3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol
SMILESO/C(=C(/O)c1cccc(O)c1O)c1ccccc1
InChIInChI=1S/C14H12O4/c15-11-8-4-7-10(13(11)17)14(18)12(16)9-5-2-1-3-6-9/h1-8,15-18H/b14-12+
InChIKeyDRZRNOIKWKKDLO-WYMLVPIESA-N
MW244.25 g/mol
LogP3.04
Rot. Bonds2

About 3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol

3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol (PubChem CID 66873730) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol
PubChem CID66873730
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol
SMILESO/C(=C(/O)c1cccc(O)c1O)c1ccccc1
InChIInChI=1S/C14H12O4/c15-11-8-4-7-10(13(11)17)14(18)12(16)9-5-2-1-3-6-9/h1-8,15-18H/b14-12+
InChIKeyDRZRNOIKWKKDLO-WYMLVPIESA-N
XLogP3.04
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
2-[(2,3-dihydroxyphenyl)-hydroxymethylidene]propanedinitrile
CID 88623280
benzene-1,2,3-triol
CID 87074018
3-(1,2,2-trichloroethenyl)benzene-1,2-diol
CID 155490176
2,3-dihydroxybenzoyl bromide
CID 141115203
CID 12505640
CID 12505640
benzene-1,2,3-triol;bismuthane
CID 174447840
(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 14094133
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
benzene-1,2-diol;hydrogen peroxide
CID 22924348
benzene-1,2,3-triol;naphthalene
CID 157155506
(2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate
CID 151078353

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol?
The IUPAC name of 3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol (CID 66873730) is 3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol?
The canonical SMILES for 3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol is O/C(=C(/O)c1cccc(O)c1O)c1ccccc1.
What is the InChIKey of 3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol?
The InChIKey is DRZRNOIKWKKDLO-WYMLVPIESA-N. The full InChI is InChI=1S/C14H12O4/c15-11-8-4-7-10(13(11)17)14(18)12(16)9-5-2-1-3-6-9/h1-8,15-18H/b14-12+.
What are the key properties of 3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol?
3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol has a molecular weight of 244.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1,2-dihydroxy-2-phenylethenyl]benzene-1,2-diol is sourced from PubChem (CID 66873730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).