5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol

C14H12O5 — CID 143585008

IUPAC5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
SMILESOc1ccc(/C=C\c2cc(O)c(O)c(O)c2)cc1O
InChIInChI=1S/C14H12O5/c15-10-4-3-8(5-11(10)16)1-2-9-6-12(17)14(19)13(18)7-9/h1-7,15-19H/b2-1-
InChIKeyNHDCJIRSEKZXEL-UPHRSURJSA-N
MW260.25 g/mol
LogP2.38
Rot. Bonds2

About 5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol

5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol (PubChem CID 143585008) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
PubChem CID143585008
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
SMILESOc1ccc(/C=C\c2cc(O)c(O)c(O)c2)cc1O
InChIInChI=1S/C14H12O5/c15-10-4-3-8(5-11(10)16)1-2-9-6-12(17)14(19)13(18)7-9/h1-7,15-19H/b2-1-
InChIKeyNHDCJIRSEKZXEL-UPHRSURJSA-N
XLogP2.38
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164
4-[2-[4-[[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzene-1,2-diol
CID 136610654
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide
CID 173142705
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 689043
4-[(E)-3,3,3-trifluoroprop-1-enyl]benzene-1,2-diol
CID 102235179
3-(3,4-dihydroxyphenyl)prop-2-enethioic S-acid
CID 78183914
acetic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 159549195
5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol
CID 101451865
4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide
CID 175302476
1,7-bis(3,4-dihydroxyphenyl)hepta-1,6-dien-4-one
CID 67804979

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol?
The IUPAC name of 5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol (CID 143585008) is 5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol.
What is the SMILES notation for 5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol?
The canonical SMILES for 5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol is Oc1ccc(/C=C\c2cc(O)c(O)c(O)c2)cc1O.
What is the InChIKey of 5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol?
The InChIKey is NHDCJIRSEKZXEL-UPHRSURJSA-N. The full InChI is InChI=1S/C14H12O5/c15-10-4-3-8(5-11(10)16)1-2-9-6-12(17)14(19)13(18)7-9/h1-7,15-19H/b2-1-.
What are the key properties of 5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol?
5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol has a molecular weight of 260.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol is sourced from PubChem (CID 143585008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).