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

C16H13ClO2 — CID 66155706

IUPAC5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
SMILESCC1Cc2cc(-c3ccc(Cl)cc3C=O)ccc2O1
InChIInChI=1S/C16H13ClO2/c1-10-6-12-7-11(2-5-16(12)19-10)15-4-3-14(17)8-13(15)9-18/h2-5,7-10H,6H2,1H3
InChIKeyZTMJKLSLVDANRM-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.14
Rot. Bonds2

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

5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde (PubChem CID 66155706) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
PubChem CID66155706
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
SMILESCC1Cc2cc(-c3ccc(Cl)cc3C=O)ccc2O1
InChIInChI=1S/C16H13ClO2/c1-10-6-12-7-11(2-5-16(12)19-10)15-4-3-14(17)8-13(15)9-18/h2-5,7-10H,6H2,1H3
InChIKeyZTMJKLSLVDANRM-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde?
The IUPAC name of 5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde (CID 66155706) is 5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde is CC1Cc2cc(-c3ccc(Cl)cc3C=O)ccc2O1.
What is the InChIKey of 5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde?
The InChIKey is ZTMJKLSLVDANRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-10-6-12-7-11(2-5-16(12)19-10)15-4-3-14(17)8-13(15)9-18/h2-5,7-10H,6H2,1H3.
What are the key properties of 5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde?
5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde has a molecular weight of 272.73 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzaldehyde is sourced from PubChem (CID 66155706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).