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

C15H11BrO2 — CID 4636792

IUPAC1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1cccc(O)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrO2/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(17)10-11/h1-10,17H
InChIKeyOBAKZNFZACQQKK-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.05
Rot. Bonds3

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

1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one (PubChem CID 4636792) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
PubChem CID4636792
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Name1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1cccc(O)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrO2/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(17)10-11/h1-10,17H
InChIKeyOBAKZNFZACQQKK-UHFFFAOYSA-N
XLogP4.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.05
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-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one (CID 4636792) is 1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one is O=C(C=Cc1cccc(O)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is OBAKZNFZACQQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(17)10-11/h1-10,17H.
What are the key properties of 1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 303.16 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 4636792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).