(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one

C17H15BrO — CID 19541409

IUPAC(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrO/c1-2-13-3-5-14(6-4-13)7-12-17(19)15-8-10-16(18)11-9-15/h3-12H,2H2,1H3/b12-7+
InChIKeyMRDARSMJVDFXAT-KPKJPENVSA-N
MW315.21 g/mol
LogP4.91
Rot. Bonds4

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

(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one (PubChem CID 19541409) has the molecular formula C17H15BrO and a molecular weight of 315.21 g/mol. Its IUPAC name is (E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
PubChem CID19541409
Molecular FormulaC17H15BrO
Molecular Weight315.21 g/mol
Exact Mass314.03
IUPAC Name(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrO/c1-2-13-3-5-14(6-4-13)7-12-17(19)15-8-10-16(18)11-9-15/h3-12H,2H2,1H3/b12-7+
InChIKeyMRDARSMJVDFXAT-KPKJPENVSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299
3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 3733090
(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557392
1-(4-ethylphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 3307819
3-(4-bromophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 2880500
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 7973015
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
5-bromo-3-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 7314658
[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 139234416
(2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid
CID 92932031
(Z)-1-(4-ethylphenyl)-3-[(Z)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 92858259

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one (CID 19541409) is (E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one is CCc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of (E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one?
The InChIKey is MRDARSMJVDFXAT-KPKJPENVSA-N. The full InChI is InChI=1S/C17H15BrO/c1-2-13-3-5-14(6-4-13)7-12-17(19)15-8-10-16(18)11-9-15/h3-12H,2H2,1H3/b12-7+.
What are the key properties of (E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one?
(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one has a molecular weight of 315.21 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 19541409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).