4-(3-chlorophenyl)furan-2-carbaldehyde

C11H7ClO2 — CID 87992814

IUPAC4-(3-chlorophenyl)furan-2-carbaldehyde
SMILESO=Cc1cc(-c2cccc(Cl)c2)co1
InChIInChI=1S/C11H7ClO2/c12-10-3-1-2-8(4-10)9-5-11(6-13)14-7-9/h1-7H
InChIKeyKEEQVQVZQZQSIQ-UHFFFAOYSA-N
MW206.63 g/mol
LogP3.41
Rot. Bonds2

About 4-(3-chlorophenyl)furan-2-carbaldehyde

4-(3-chlorophenyl)furan-2-carbaldehyde (PubChem CID 87992814) has the molecular formula C11H7ClO2 and a molecular weight of 206.63 g/mol. Its IUPAC name is 4-(3-chlorophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name4-(3-chlorophenyl)furan-2-carbaldehyde
PubChem CID87992814
Molecular FormulaC11H7ClO2
Molecular Weight206.63 g/mol
Exact Mass206.01
IUPAC Name4-(3-chlorophenyl)furan-2-carbaldehyde
SMILESO=Cc1cc(-c2cccc(Cl)c2)co1
InChIInChI=1S/C11H7ClO2/c12-10-3-1-2-8(4-10)9-5-11(6-13)14-7-9/h1-7H
InChIKeyKEEQVQVZQZQSIQ-UHFFFAOYSA-N
XLogP3.41
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)furan-2-carbaldehyde
CID 71424930
4-(3-chlorophenyl)-2-methylfuran
CID 69479564
5-(5-formylfuran-3-yl)furan-2-carbaldehyde
CID 175213129
5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde
CID 102261451
3-(3,5-dichlorophenyl)benzaldehyde
CID 2758152
5-(3-chlorophenyl)-2-methylfuran-3-carbaldehyde
CID 87480512
2-(3-chlorophenyl)-4,5-difluorobenzaldehyde
CID 172909463
2-(3-chlorophenyl)-6-fluorobenzaldehyde
CID 172993863
2-(3-chlorophenyl)-1H-pyridin-4-one
CID 53229265
bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
CID 70610303
3-(3-chlorophenyl)aniline;hydrochloride
CID 2757424
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)furan-2-carbaldehyde?
The IUPAC name of 4-(3-chlorophenyl)furan-2-carbaldehyde (CID 87992814) is 4-(3-chlorophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 4-(3-chlorophenyl)furan-2-carbaldehyde?
The canonical SMILES for 4-(3-chlorophenyl)furan-2-carbaldehyde is O=Cc1cc(-c2cccc(Cl)c2)co1.
What is the InChIKey of 4-(3-chlorophenyl)furan-2-carbaldehyde?
The InChIKey is KEEQVQVZQZQSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2/c12-10-3-1-2-8(4-10)9-5-11(6-13)14-7-9/h1-7H.
What are the key properties of 4-(3-chlorophenyl)furan-2-carbaldehyde?
4-(3-chlorophenyl)furan-2-carbaldehyde has a molecular weight of 206.63 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 87992814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).