(E)-4-(2,4-dichlorophenyl)but-3-enal

C10H8Cl2O — CID 87333771

IUPAC(E)-4-(2,4-dichlorophenyl)but-3-enal
SMILESO=CC/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2O/c11-9-5-4-8(10(12)7-9)3-1-2-6-13/h1,3-7H,2H2/b3-1+
InChIKeyAYEJRLDAYYVEDR-HNQUOIGGSA-N
MW215.08 g/mol
LogP3.60
Rot. Bonds3

About (E)-4-(2,4-dichlorophenyl)but-3-enal

(E)-4-(2,4-dichlorophenyl)but-3-enal (PubChem CID 87333771) has the molecular formula C10H8Cl2O and a molecular weight of 215.08 g/mol. Its IUPAC name is (E)-4-(2,4-dichlorophenyl)but-3-enal.

Molecular Properties

Compound Name(E)-4-(2,4-dichlorophenyl)but-3-enal
PubChem CID87333771
Molecular FormulaC10H8Cl2O
Molecular Weight215.08 g/mol
Exact Mass214.00
IUPAC Name(E)-4-(2,4-dichlorophenyl)but-3-enal
SMILESO=CC/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2O/c11-9-5-4-8(10(12)7-9)3-1-2-6-13/h1,3-7H,2H2/b3-1+
InChIKeyAYEJRLDAYYVEDR-HNQUOIGGSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-chlorophenyl)but-3-enal
CID 170481538
3-(2,4-dichlorophenyl)prop-2-enyl formate
CID 90884165
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245
4-(2-bromo-5-chlorophenyl)but-3-enal
CID 170482888
4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enal
CID 170482954
3-(2,4-dichlorophenyl)prop-2-enal
CID 4193011
2,4-dichloro-1-(2-chloroethenyl)benzene
CID 609851
(E)-6-(2,4-dichlorophenyl)hex-5-ene-1-thiol
CID 10563343
1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene
CID 10638478
2,4-dichloro-1-[2-[2-(2,4-dichlorophenyl)ethenoxy]ethenyl]benzene
CID 139944429
1,4-dichloro-2-(3-chloroprop-1-enyl)benzene
CID 169476910
1-(2,4-dichlorophenyl)pent-1-en-3-one
CID 142778018

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,4-dichlorophenyl)but-3-enal?
The IUPAC name of (E)-4-(2,4-dichlorophenyl)but-3-enal (CID 87333771) is (E)-4-(2,4-dichlorophenyl)but-3-enal.
What is the SMILES notation for (E)-4-(2,4-dichlorophenyl)but-3-enal?
The canonical SMILES for (E)-4-(2,4-dichlorophenyl)but-3-enal is O=CC/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-4-(2,4-dichlorophenyl)but-3-enal?
The InChIKey is AYEJRLDAYYVEDR-HNQUOIGGSA-N. The full InChI is InChI=1S/C10H8Cl2O/c11-9-5-4-8(10(12)7-9)3-1-2-6-13/h1,3-7H,2H2/b3-1+.
What are the key properties of (E)-4-(2,4-dichlorophenyl)but-3-enal?
(E)-4-(2,4-dichlorophenyl)but-3-enal has a molecular weight of 215.08 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,4-dichlorophenyl)but-3-enal is sourced from PubChem (CID 87333771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).