3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride

C15H13ClO3 — CID 69039311

IUPAC3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
SMILESCl.O=C(C=Cc1cccc(O)c1O)c1ccccc1
InChIInChI=1S/C15H12O3.ClH/c16-13(11-5-2-1-3-6-11)10-9-12-7-4-8-14(17)15(12)18;/h1-10,17-18H;1H
InChIKeyZUHZPTRDDPDNIR-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.42
Rot. Bonds3

About 3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride

3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride (PubChem CID 69039311) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
PubChem CID69039311
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
SMILESCl.O=C(C=Cc1cccc(O)c1O)c1ccccc1
InChIInChI=1S/C15H12O3.ClH/c16-13(11-5-2-1-3-6-11)10-9-12-7-4-8-14(17)15(12)18;/h1-10,17-18H;1H
InChIKeyZUHZPTRDDPDNIR-UHFFFAOYSA-N
XLogP3.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298
3-(2-hydroxy-3-nitrophenyl)-1-phenylprop-2-en-1-one
CID 71324009
(E)-1-phenyl-3-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
CID 146448432
3-(3,4-dihydroxy-2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 137379047
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one
CID 72689101
3-(5-hydroxy-2,3,4-trimethoxyphenyl)-1-phenylprop-2-en-1-one
CID 141120991
3-(2-hydroxy-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 67082787
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one
CID 135051772
3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one
CID 174792715
(E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 71462728

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride?
The IUPAC name of 3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride (CID 69039311) is 3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride.
What is the SMILES notation for 3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride?
The canonical SMILES for 3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride is Cl.O=C(C=Cc1cccc(O)c1O)c1ccccc1.
What is the InChIKey of 3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride?
The InChIKey is ZUHZPTRDDPDNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3.ClH/c16-13(11-5-2-1-3-6-11)10-9-12-7-4-8-14(17)15(12)18;/h1-10,17-18H;1H.
What are the key properties of 3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride?
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride has a molecular weight of 276.72 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride is sourced from PubChem (CID 69039311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).