2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol

C15H14O3 — CID 25224834

IUPAC2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol
SMILESOc1ccc(O)c(C(O)/C=C/c2ccccc2)c1
InChIInChI=1S/C15H14O3/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,14,16-18H/b8-6+
InChIKeyKAWRHUYKKQUICA-SOFGYWHQSA-N
MW242.27 g/mol
LogP2.84
Rot. Bonds3

About 2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol

2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol (PubChem CID 25224834) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol
PubChem CID25224834
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol
SMILESOc1ccc(O)c(C(O)/C=C/c2ccccc2)c1
InChIInChI=1S/C15H14O3/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,14,16-18H/b8-6+
InChIKeyKAWRHUYKKQUICA-SOFGYWHQSA-N
XLogP2.84
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,5-diphenylpenta-1,4-dien-3-yl)phenol
CID 67578967
2-(2-phenylethenyl)benzene-1,4-diol
CID 54196246
2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
CID 23019022
3-phenylprop-2-ene-1,1-diol
CID 54432533
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
2-[(E)-1-phenylpent-1-en-3-yl]phenol
CID 13258003
2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol
CID 101117364
(E)-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)prop-2-en-1-ol
CID 122381477
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
2-(benzylideneamino)benzene-1,4-diol
CID 23329258
4-[3-hydroxy-3-(4-hydroxy-2-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828595

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol?
The IUPAC name of 2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol (CID 25224834) is 2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol?
The canonical SMILES for 2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol is Oc1ccc(O)c(C(O)/C=C/c2ccccc2)c1.
What is the InChIKey of 2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol?
The InChIKey is KAWRHUYKKQUICA-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H14O3/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,14,16-18H/b8-6+.
What are the key properties of 2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol?
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol has a molecular weight of 242.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol is sourced from PubChem (CID 25224834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).