1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one

C30H24O5 — CID 67873183

IUPAC1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1.O=C(C=Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C15H12O3.C15H12O2/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12;16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-10,16-17H;1-11,16H
InChIKeyGBPKVBLZNXAORS-UHFFFAOYSA-N
MW464.52 g/mol
LogP6.28
Rot. Bonds6

About 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one

1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one (PubChem CID 67873183) has the molecular formula C30H24O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
PubChem CID67873183
Molecular FormulaC30H24O5
Molecular Weight464.52 g/mol
Exact Mass464.16
IUPAC Name1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1.O=C(C=Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C15H12O3.C15H12O2/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12;16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-10,16-17H;1-11,16H
InChIKeyGBPKVBLZNXAORS-UHFFFAOYSA-N
XLogP6.28
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 174616800
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(2E,4E)-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 134140486
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid;hydrochloride
CID 70593745
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
(E)-1-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 89136954
3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one
CID 174731066
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
3-(4-hydroxyphenyl)-1-(1-hydroxypyridin-1-ium-4-yl)prop-2-en-1-one
CID 126959177

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one (CID 67873183) is 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one is O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1.O=C(C=Cc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is GBPKVBLZNXAORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3.C15H12O2/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12;16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-10,16-17H;1-11,16H.
What are the key properties of 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one?
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 464.52 g/mol, XLogP of 6.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 67873183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).