1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

C15H12O3 — CID 25861

IUPAC1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(O)cc1)c1ccccc1O
InChIInChI=1S/C15H12O3/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,16-17H
InChIKeyFGPJTMCJNPRZGF-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.99
Rot. Bonds3

About 1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 25861) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID25861
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(O)cc1)c1ccccc1O
InChIInChI=1S/C15H12O3/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,16-17H
InChIKeyFGPJTMCJNPRZGF-UHFFFAOYSA-N
XLogP2.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzoic acid
CID 127260328
4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5272792
(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 10399428
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
(E)-1-(2-hydroxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)prop-2-en-1-one
CID 71749251
(E)-1-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 5270542
N-[2-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 175343363
(E)-1-(2,4-dihydroxyphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 151077564
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
CID 54161094
1-(2,5-dihydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 71334768
3-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]prop-2-enoic acid
CID 54370841

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (CID 25861) is 1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one is O=C(C=Cc1ccc(O)cc1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is FGPJTMCJNPRZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,16-17H.
What are the key properties of 1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one?
1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 240.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 25861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).