1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one

C15H10Cl2O2 — CID 168806063

IUPAC1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2O2/c16-11-8-12(17)15(14(19)9-11)13(18)7-6-10-4-2-1-3-5-10/h1-9,19H
InChIKeyBJEZYANNCIGPNK-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.60
Rot. Bonds3

About 1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one

1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one (PubChem CID 168806063) has the molecular formula C15H10Cl2O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is 1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one
PubChem CID168806063
Molecular FormulaC15H10Cl2O2
Molecular Weight293.15 g/mol
Exact Mass292.01
IUPAC Name1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2O2/c16-11-8-12(17)15(14(19)9-11)13(18)7-6-10-4-2-1-3-5-10/h1-9,19H
InChIKeyBJEZYANNCIGPNK-UHFFFAOYSA-N
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one (CID 168806063) is 1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1c(O)cc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is BJEZYANNCIGPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O2/c16-11-8-12(17)15(14(19)9-11)13(18)7-6-10-4-2-1-3-5-10/h1-9,19H.
What are the key properties of 1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one?
1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 293.15 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-6-hydroxyphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 168806063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).