5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane

C15H16O3 — CID 74438837

IUPAC5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
SMILESC.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O3.CH4/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;/h1-9,15-17H;1H4
InChIKeyFUNISYCYCUZNLW-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.61
Rot. Bonds2

About 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane

5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane (PubChem CID 74438837) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
PubChem CID74438837
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
SMILESC.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O3.CH4/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;/h1-9,15-17H;1H4
InChIKeyFUNISYCYCUZNLW-UHFFFAOYSA-N
XLogP3.61
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.61
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

5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
5-[(Z)-2-(4-aminophenyl)ethenyl]benzene-1,3-diamine;5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 163701124
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene
CID 175297544
ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
CID 143083538
O-silyl resveratrol
CID 171364243
5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
CID 71454329
(1E,6E)-1-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68551560
ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 175502826
4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid
CID 173073405
5-[(E)-2-[4-(sulfanylmethyl)phenyl]ethenyl]benzene-1,3-diol
CID 87118922
3-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 68846116

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane?
The IUPAC name of 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane (CID 74438837) is 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane is C.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane?
The InChIKey is FUNISYCYCUZNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.CH4/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;/h1-9,15-17H;1H4.
What are the key properties of 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane?
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane has a molecular weight of 244.29 g/mol, XLogP of 3.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane is sourced from PubChem (CID 74438837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).