(Z)-2-bromo-3-(4-bromophenyl)but-2-enal

C10H8Br2O — CID 174942428

IUPAC(Z)-2-bromo-3-(4-bromophenyl)but-2-enal
SMILESC/C(=C(/Br)C=O)c1ccc(Br)cc1
InChIInChI=1S/C10H8Br2O/c1-7(10(12)6-13)8-2-4-9(11)5-3-8/h2-6H,1H3/b10-7-
InChIKeyCUHQWMNVIIRMOW-YFHOEESVSA-N
MW303.98 g/mol
LogP3.77
Rot. Bonds2

About (Z)-2-bromo-3-(4-bromophenyl)but-2-enal

(Z)-2-bromo-3-(4-bromophenyl)but-2-enal (PubChem CID 174942428) has the molecular formula C10H8Br2O and a molecular weight of 303.98 g/mol. Its IUPAC name is (Z)-2-bromo-3-(4-bromophenyl)but-2-enal.

Molecular Properties

Compound Name(Z)-2-bromo-3-(4-bromophenyl)but-2-enal
PubChem CID174942428
Molecular FormulaC10H8Br2O
Molecular Weight303.98 g/mol
Exact Mass301.89
IUPAC Name(Z)-2-bromo-3-(4-bromophenyl)but-2-enal
SMILESC/C(=C(/Br)C=O)c1ccc(Br)cc1
InChIInChI=1S/C10H8Br2O/c1-7(10(12)6-13)8-2-4-9(11)5-3-8/h2-6H,1H3/b10-7-
InChIKeyCUHQWMNVIIRMOW-YFHOEESVSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.98
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[(E)-3-(4-bromophenyl)but-2-en-2-yl]benzene;1-(4-bromophenyl)ethanone
CID 157172690
(E)-3-(4-bromophenyl)-3-chloro-2-methylprop-2-enal
CID 20836205
1-bromo-4-but-2-en-2-ylbenzene
CID 72775371
2-[1-(4-bromophenyl)ethylidene]propanedinitrile
CID 793588
(Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal
CID 13079816
benzene;1-(4-bromophenyl)ethanone
CID 174710467
3-(4-bromophenyl)-2-methylprop-2-enal
CID 71356769
2-[4-(4-bromophenyl)phenyl]-2-oxoacetaldehyde
CID 39233469
(Z)-4-(4-bromophenyl)pent-3-en-2-one
CID 23336317
1-[4-[2-(4-bromophenyl)ethynyl]phenyl]ethanone
CID 86068214
(E)-1,3-bis(4-bromophenyl)but-2-en-1-one
CID 6062603
2-acetamido-3-(4-bromophenyl)but-2-enoic acid
CID 54258491

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-3-(4-bromophenyl)but-2-enal?
The IUPAC name of (Z)-2-bromo-3-(4-bromophenyl)but-2-enal (CID 174942428) is (Z)-2-bromo-3-(4-bromophenyl)but-2-enal.
What is the SMILES notation for (Z)-2-bromo-3-(4-bromophenyl)but-2-enal?
The canonical SMILES for (Z)-2-bromo-3-(4-bromophenyl)but-2-enal is C/C(=C(/Br)C=O)c1ccc(Br)cc1.
What is the InChIKey of (Z)-2-bromo-3-(4-bromophenyl)but-2-enal?
The InChIKey is CUHQWMNVIIRMOW-YFHOEESVSA-N. The full InChI is InChI=1S/C10H8Br2O/c1-7(10(12)6-13)8-2-4-9(11)5-3-8/h2-6H,1H3/b10-7-.
What are the key properties of (Z)-2-bromo-3-(4-bromophenyl)but-2-enal?
(Z)-2-bromo-3-(4-bromophenyl)but-2-enal has a molecular weight of 303.98 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-3-(4-bromophenyl)but-2-enal is sourced from PubChem (CID 174942428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).