3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal

C11H11ClO2 — CID 117300834

IUPAC3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal
SMILESO=CCCc1c(Cl)ccc2c1CCO2
InChIInChI=1S/C11H11ClO2/c12-10-3-4-11-9(5-7-14-11)8(10)2-1-6-13/h3-4,6H,1-2,5,7H2
InChIKeyTVIOZSMXPBUOFU-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.41
Rot. Bonds3

About 3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal

3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal (PubChem CID 117300834) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal.

Molecular Properties

Compound Name3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal
PubChem CID117300834
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal
SMILESO=CCCc1c(Cl)ccc2c1CCO2
InChIInChI=1S/C11H11ClO2/c12-10-3-4-11-9(5-7-14-11)8(10)2-1-6-13/h3-4,6H,1-2,5,7H2
InChIKeyTVIOZSMXPBUOFU-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.41
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

3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanal
CID 117404235
3-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanal
CID 117389951
1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone
CID 117324410
N-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)acetamide
CID 151540497
1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine
CID 153376900
3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propanal
CID 117321525
5-bromo-4-chloro-2,3-dihydro-1-benzofuran
CID 82374686
3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanal
CID 117336282
3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid
CID 117299962
4-prop-2-enyl-5-[(4-prop-2-enyl-2,3-dihydro-1-benzofuran-5-yl)oxy]-2,3-dihydro-1-benzofuran
CID 66780375
3-(3-bromo-6-chloro-2-fluorophenyl)propanal
CID 117418213
5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde
CID 117273159

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal?
The IUPAC name of 3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal (CID 117300834) is 3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal.
What is the SMILES notation for 3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal?
The canonical SMILES for 3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal is O=CCCc1c(Cl)ccc2c1CCO2.
What is the InChIKey of 3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal?
The InChIKey is TVIOZSMXPBUOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-10-3-4-11-9(5-7-14-11)8(10)2-1-6-13/h3-4,6H,1-2,5,7H2.
What are the key properties of 3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal?
3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal has a molecular weight of 210.66 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal is sourced from PubChem (CID 117300834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).