1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

C29H24O4 — CID 174616800

IUPAC1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
SMILESO=C(C=Cc1ccccc1)c1ccccc1.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C15H12O.C14H12O3/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-12H;1-9,15-17H/b;2-1+
InChIKeyKSJMFEOCXOZHEQ-WLHGVMLRSA-N
MW436.51 g/mol
LogP6.56
Rot. Bonds5

About 1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol (PubChem CID 174616800) has the molecular formula C29H24O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
PubChem CID174616800
Molecular FormulaC29H24O4
Molecular Weight436.51 g/mol
Exact Mass436.17
IUPAC Name1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
SMILESO=C(C=Cc1ccccc1)c1ccccc1.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C15H12O.C14H12O3/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-12H;1-9,15-17H/b;2-1+
InChIKeyKSJMFEOCXOZHEQ-WLHGVMLRSA-N
XLogP6.56
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
(2E,4E)-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 134140486
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
CID 6440216
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-(2-phenylethenyl)phenol
CID 157400568

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol (CID 174616800) is 1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol is O=C(C=Cc1ccccc1)c1ccccc1.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1.
What is the InChIKey of 1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol?
The InChIKey is KSJMFEOCXOZHEQ-WLHGVMLRSA-N. The full InChI is InChI=1S/C15H12O.C14H12O3/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-12H;1-9,15-17H/b;2-1+.
What are the key properties of 1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol?
1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol has a molecular weight of 436.51 g/mol, XLogP of 6.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 174616800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).