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

C15H11ClO2 — CID 114076490

IUPAC2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
SMILESO=Cc1cc(-c2ccc3c(c2)CCO3)ccc1Cl
InChIInChI=1S/C15H11ClO2/c16-14-3-1-10(8-13(14)9-17)11-2-4-15-12(7-11)5-6-18-15/h1-4,7-9H,5-6H2
InChIKeyYUSVZSPKDMSSEV-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.75
Rot. Bonds2

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

2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde (PubChem CID 114076490) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
PubChem CID114076490
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
SMILESO=Cc1cc(-c2ccc3c(c2)CCO3)ccc1Cl
InChIInChI=1S/C15H11ClO2/c16-14-3-1-10(8-13(14)9-17)11-2-4-15-12(7-11)5-6-18-15/h1-4,7-9H,5-6H2
InChIKeyYUSVZSPKDMSSEV-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.75
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

2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol
CID 107663413
4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one
CID 70061931
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867303
4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
CID 81287575
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 4131960
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine
CID 28902016
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde?
The IUPAC name of 2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde (CID 114076490) is 2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde.
What is the SMILES notation for 2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde?
The canonical SMILES for 2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde is O=Cc1cc(-c2ccc3c(c2)CCO3)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde?
The InChIKey is YUSVZSPKDMSSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-14-3-1-10(8-13(14)9-17)11-2-4-15-12(7-11)5-6-18-15/h1-4,7-9H,5-6H2.
What are the key properties of 2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde?
2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde has a molecular weight of 258.70 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde is sourced from PubChem (CID 114076490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).