7-(3,4-dichlorophenyl)hept-4-enal

C13H14Cl2O — CID 90816214

IUPAC7-(3,4-dichlorophenyl)hept-4-enal
SMILESO=CCCC=CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2O/c14-12-8-7-11(10-13(12)15)6-4-2-1-3-5-9-16/h1-2,7-10H,3-6H2
InChIKeyARTATFYMXJPKIE-UHFFFAOYSA-N
MW257.16 g/mol
LogP4.46
Rot. Bonds6

About 7-(3,4-dichlorophenyl)hept-4-enal

7-(3,4-dichlorophenyl)hept-4-enal (PubChem CID 90816214) has the molecular formula C13H14Cl2O and a molecular weight of 257.16 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)hept-4-enal.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)hept-4-enal
PubChem CID90816214
Molecular FormulaC13H14Cl2O
Molecular Weight257.16 g/mol
Exact Mass256.04
IUPAC Name7-(3,4-dichlorophenyl)hept-4-enal
SMILESO=CCCC=CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2O/c14-12-8-7-11(10-13(12)15)6-4-2-1-3-5-9-16/h1-2,7-10H,3-6H2
InChIKeyARTATFYMXJPKIE-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(4-chlorophenyl)hept-4-enal
CID 91303083
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3-(4-chlorophenyl)propanal;dihydrochloride
CID 141114380
2-[2-chloro-4-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 119000816
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
3-(4-chlorophenyl)propanal;ethane
CID 142069464
4-(3-chloro-4-methoxyphenyl)butanal
CID 96658047
3-(3-chloro-2H-indazol-5-yl)propanal
CID 117298075
2-(3,4-dichlorophenyl)ethanesulfonamide
CID 112639856
4-(3,4-dichlorophenyl)butanamide
CID 47319689
3-(3,4-dichlorophenyl)-2,2-dimethylpropanal
CID 14181025
1,2-dichloro-4-[(E)-4-chlorobut-2-enyl]benzene
CID 21327838

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)hept-4-enal?
The IUPAC name of 7-(3,4-dichlorophenyl)hept-4-enal (CID 90816214) is 7-(3,4-dichlorophenyl)hept-4-enal.
What is the SMILES notation for 7-(3,4-dichlorophenyl)hept-4-enal?
The canonical SMILES for 7-(3,4-dichlorophenyl)hept-4-enal is O=CCCC=CCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-(3,4-dichlorophenyl)hept-4-enal?
The InChIKey is ARTATFYMXJPKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O/c14-12-8-7-11(10-13(12)15)6-4-2-1-3-5-9-16/h1-2,7-10H,3-6H2.
What are the key properties of 7-(3,4-dichlorophenyl)hept-4-enal?
7-(3,4-dichlorophenyl)hept-4-enal has a molecular weight of 257.16 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)hept-4-enal is sourced from PubChem (CID 90816214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).