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

C20H22O4 — CID 175297544

IUPAC5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O3.C6H10O/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;1-3-5-7-6-4-2/h1-9,15-17H;3-4H,1-2,5-6H2
InChIKeyPQITYWIIMPWFTF-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.35
Rot. Bonds6

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

5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene (PubChem CID 175297544) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene
PubChem CID175297544
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O3.C6H10O/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;1-3-5-7-6-4-2/h1-9,15-17H;3-4H,1-2,5-6H2
InChIKeyPQITYWIIMPWFTF-UHFFFAOYSA-N
XLogP4.35
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol
CID 174686350
4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol
CID 57222494
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
(1E,6E)-1-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68551560
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-[(E)-2-[4-(sulfanylmethyl)phenyl]ethenyl]benzene-1,3-diol
CID 87118922
ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 175502826
4-(3-hydroperoxyprop-1-enyl)phenol
CID 54378687
4-hydroxybenzonitrile;3-prop-2-enoxyprop-1-ene
CID 21472413
ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
CID 143083538

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene?
The IUPAC name of 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene (CID 175297544) is 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene?
The InChIKey is PQITYWIIMPWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C6H10O/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;1-3-5-7-6-4-2/h1-9,15-17H;3-4H,1-2,5-6H2.
What are the key properties of 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene?
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene has a molecular weight of 326.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 175297544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).