5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol

C18H14O3 — CID 44516242

IUPAC5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(/C=C/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C18H14O3/c19-14-9-12(10-15(20)11-14)5-7-17-16-4-2-1-3-13(16)6-8-18(17)21/h1-11,19-21H/b7-5+
InChIKeyZKEUDGUIBVYHBZ-FNORWQNLSA-N
MW278.31 g/mol
LogP4.13
Rot. Bonds2

About 5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol

5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol (PubChem CID 44516242) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol
PubChem CID44516242
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(/C=C/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C18H14O3/c19-14-9-12(10-15(20)11-14)5-7-17-16-4-2-1-3-13(16)6-8-18(17)21/h1-11,19-21H/b7-5+
InChIKeyZKEUDGUIBVYHBZ-FNORWQNLSA-N
XLogP4.13
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-ol
CID 57387489
1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol
CID 102214824
(E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one
CID 14509487
1-(2,2-dibromoethenyl)naphthalen-2-ol
CID 25096638
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
2-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-1-methylquinolin-1-ium-8-ol;methyl hydrogen sulfate
CID 5474363
(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]benzenesulfonamide
CID 135452793
N-[3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]phenyl]-2-phenylpropanamide
CID 172539215
2-methoxy-1-[2-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]ethenyl]naphthalene
CID 75293754
1-prop-1-enylanthracen-2-ol
CID 88685593
1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol
CID 102214825
phenanthrene-2,4-diol
CID 640647

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol (CID 44516242) is 5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol is Oc1cc(O)cc(/C=C/c2c(O)ccc3ccccc23)c1.
What is the InChIKey of 5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol?
The InChIKey is ZKEUDGUIBVYHBZ-FNORWQNLSA-N. The full InChI is InChI=1S/C18H14O3/c19-14-9-12(10-15(20)11-14)5-7-17-16-4-2-1-3-13(16)6-8-18(17)21/h1-11,19-21H/b7-5+.
What are the key properties of 5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol?
5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol has a molecular weight of 278.31 g/mol, XLogP of 4.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 44516242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).