3-(7-chloro-1-benzofuran-2-yl)propanal

C11H9ClO2 — CID 114733142

IUPAC3-(7-chloro-1-benzofuran-2-yl)propanal
SMILESO=CCCc1cc2cccc(Cl)c2o1
InChIInChI=1S/C11H9ClO2/c12-10-5-1-3-8-7-9(4-2-6-13)14-11(8)10/h1,3,5-7H,2,4H2
InChIKeyFQTUHPZCZUCCPZ-UHFFFAOYSA-N
MW208.64 g/mol
LogP3.22
Rot. Bonds3

About 3-(7-chloro-1-benzofuran-2-yl)propanal

3-(7-chloro-1-benzofuran-2-yl)propanal (PubChem CID 114733142) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is 3-(7-chloro-1-benzofuran-2-yl)propanal.

Molecular Properties

Compound Name3-(7-chloro-1-benzofuran-2-yl)propanal
PubChem CID114733142
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Name3-(7-chloro-1-benzofuran-2-yl)propanal
SMILESO=CCCc1cc2cccc(Cl)c2o1
InChIInChI=1S/C11H9ClO2/c12-10-5-1-3-8-7-9(4-2-6-13)14-11(8)10/h1,3,5-7H,2,4H2
InChIKeyFQTUHPZCZUCCPZ-UHFFFAOYSA-N
XLogP3.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 53.22
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

(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
7-chloro-2-(isocyanomethyl)-1-benzofuran
CID 83484072
1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine
CID 105497156
1-(7-chloro-1-benzofuran-2-yl)propan-2-amine
CID 114735430
1-[(7-chloro-1-benzofuran-2-yl)methyl]azepane
CID 117182733
2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde
CID 114732770
2-(7-fluoro-1-benzofuran-2-yl)ethyl formate
CID 91524112
7-chloro-1-benzofuran-2-sulfonamide
CID 114733064
7-chloro-1-benzofuran-2-sulfonyl chloride
CID 83900451
1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine
CID 115004527
2-(2-chloroethyl)-7-methyl-1-benzofuran
CID 114732789
(Z)-1-(7-chloro-1-benzofuran-2-yl)-2-ethylbut-2-en-1-one
CID 103447457

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-benzofuran-2-yl)propanal?
The IUPAC name of 3-(7-chloro-1-benzofuran-2-yl)propanal (CID 114733142) is 3-(7-chloro-1-benzofuran-2-yl)propanal.
What is the SMILES notation for 3-(7-chloro-1-benzofuran-2-yl)propanal?
The canonical SMILES for 3-(7-chloro-1-benzofuran-2-yl)propanal is O=CCCc1cc2cccc(Cl)c2o1.
What is the InChIKey of 3-(7-chloro-1-benzofuran-2-yl)propanal?
The InChIKey is FQTUHPZCZUCCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2/c12-10-5-1-3-8-7-9(4-2-6-13)14-11(8)10/h1,3,5-7H,2,4H2.
What are the key properties of 3-(7-chloro-1-benzofuran-2-yl)propanal?
3-(7-chloro-1-benzofuran-2-yl)propanal has a molecular weight of 208.64 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-benzofuran-2-yl)propanal is sourced from PubChem (CID 114733142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).