(E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one

C19H12Br2O — CID 122677119

IUPAC(E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc2ccc(Br)cc2c1)c1cccc(Br)c1
InChIInChI=1S/C19H12Br2O/c20-17-3-1-2-15(11-17)19(22)9-5-13-4-6-14-7-8-18(21)12-16(14)10-13/h1-12H/b9-5+
InChIKeyLKFKBGUSRFRBKQ-WEVVVXLNSA-N
MW416.11 g/mol
LogP6.26
Rot. Bonds3

About (E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one

(E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one (PubChem CID 122677119) has the molecular formula C19H12Br2O and a molecular weight of 416.11 g/mol. Its IUPAC name is (E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one
PubChem CID122677119
Molecular FormulaC19H12Br2O
Molecular Weight416.11 g/mol
Exact Mass413.93
IUPAC Name(E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc2ccc(Br)cc2c1)c1cccc(Br)c1
InChIInChI=1S/C19H12Br2O/c20-17-3-1-2-15(11-17)19(22)9-5-13-4-6-14-7-8-18(21)12-16(14)10-13/h1-12H/b9-5+
InChIKeyLKFKBGUSRFRBKQ-WEVVVXLNSA-N
XLogP6.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.11
LogP ≤ 56.26
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

1-(3-bromophenyl)-3-(3,5-dibromophenyl)prop-2-en-1-one
CID 123139887
(E)-1-(3-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5346014
3-[(E)-3-(3-bromophenyl)prop-2-enoyl]benzonitrile
CID 52643867
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(E)-3-(3-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 6282407
(E)-1-(3-bromophenyl)-3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-en-1-one
CID 8832725
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
(E)-1-(3-bromophenyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-en-1-one
CID 19551037
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
3-(5-bromo-2-nitrophenyl)-1-(3-bromophenyl)prop-2-en-1-one
CID 67164663
3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one
CID 3846238
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one (CID 122677119) is (E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one is O=C(/C=C/c1ccc2ccc(Br)cc2c1)c1cccc(Br)c1.
What is the InChIKey of (E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one?
The InChIKey is LKFKBGUSRFRBKQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H12Br2O/c20-17-3-1-2-15(11-17)19(22)9-5-13-4-6-14-7-8-18(21)12-16(14)10-13/h1-12H/b9-5+.
What are the key properties of (E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one?
(E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one has a molecular weight of 416.11 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-bromonaphthalen-2-yl)-1-(3-bromophenyl)prop-2-en-1-one is sourced from PubChem (CID 122677119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).