4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde

C8H7ClOS — CID 169476810

IUPAC4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde
SMILESO=Cc1cscc1C=CCCl
InChIInChI=1S/C8H7ClOS/c9-3-1-2-7-5-11-6-8(7)4-10/h1-2,4-6H,3H2
InChIKeyWCBRLOWGRQDJID-UHFFFAOYSA-N
MW186.66 g/mol
LogP2.81
Rot. Bonds3

About 4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde

4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde (PubChem CID 169476810) has the molecular formula C8H7ClOS and a molecular weight of 186.66 g/mol. Its IUPAC name is 4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde
PubChem CID169476810
Molecular FormulaC8H7ClOS
Molecular Weight186.66 g/mol
Exact Mass185.99
IUPAC Name4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde
SMILESO=Cc1cscc1C=CCCl
InChIInChI=1S/C8H7ClOS/c9-3-1-2-7-5-11-6-8(7)4-10/h1-2,4-6H,3H2
InChIKeyWCBRLOWGRQDJID-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorobut-1-enyl)thiophene-3-carbaldehyde
CID 170498602
4-(4-oxobut-1-enyl)thiophene-3-carbaldehyde
CID 170481303
3-(3-chloroprop-1-enyl)-4-methylthiophene
CID 169476786
3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde
CID 169477223
5-(3-chloroprop-1-enyl)-2-nitrobenzaldehyde
CID 169477966
1-(3-chloroprop-1-enyl)-2,4,5-trimethylbenzene
CID 79323104
1,4-dichloro-2-(3-chloroprop-1-enyl)benzene
CID 169476910
1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
CID 79334722
3-(3-bromoprop-1-enyl)-4-methylthiophene
CID 169474929
4-(3-bromoprop-1-enyl)thiophene-3-carboxylic acid
CID 169475075
4-[(4-methylphenyl)methyl]thiophene-3-carbaldehyde
CID 143604999
2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride
CID 169477591

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde?
The IUPAC name of 4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde (CID 169476810) is 4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde?
The canonical SMILES for 4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde is O=Cc1cscc1C=CCCl.
What is the InChIKey of 4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde?
The InChIKey is WCBRLOWGRQDJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClOS/c9-3-1-2-7-5-11-6-8(7)4-10/h1-2,4-6H,3H2.
What are the key properties of 4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde?
4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde has a molecular weight of 186.66 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-1-enyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 169476810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).