4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol

C14H12O3 — CID 54133293

IUPAC4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
SMILESOc1ccc(C=Cc2ccccc2O)cc1O
InChIInChI=1S/C14H12O3/c15-12-4-2-1-3-11(12)7-5-10-6-8-13(16)14(17)9-10/h1-9,15-17H
InChIKeyNVWLYTRQCPCTDE-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.97
Rot. Bonds2

About 4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol

4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol (PubChem CID 54133293) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
PubChem CID54133293
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
SMILESOc1ccc(C=Cc2ccccc2O)cc1O
InChIInChI=1S/C14H12O3/c15-12-4-2-1-3-11(12)7-5-10-6-8-13(16)14(17)9-10/h1-9,15-17H
InChIKeyNVWLYTRQCPCTDE-UHFFFAOYSA-N
XLogP2.97
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
CID 71680339
2-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol
CID 11287698
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164
5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
CID 143585008
2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione
CID 175395708
2-(2-phenylethenyl)phenol;phosphoric acid
CID 67814298
2-[(E)-2-thiophen-3-ylethenyl]phenol
CID 12520080
5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
CID 54231084
4-[2-[4-[[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzene-1,2-diol
CID 136610654
3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]chromen-4-one
CID 102368296
4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]benzene-1,2-diol iodide
CID 54610208
2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde
CID 160982415

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol?
The IUPAC name of 4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol (CID 54133293) is 4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol?
The canonical SMILES for 4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol is Oc1ccc(C=Cc2ccccc2O)cc1O.
What is the InChIKey of 4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol?
The InChIKey is NVWLYTRQCPCTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-12-4-2-1-3-11(12)7-5-10-6-8-13(16)14(17)9-10/h1-9,15-17H.
What are the key properties of 4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol?
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol has a molecular weight of 228.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol is sourced from PubChem (CID 54133293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).