2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde

C16H13ClO3 — CID 66364551

IUPAC2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
SMILESO=Cc1c(Cl)cccc1OCC1Cc2ccccc2O1
InChIInChI=1S/C16H13ClO3/c17-14-5-3-7-16(13(14)9-18)19-10-12-8-11-4-1-2-6-15(11)20-12/h1-7,9,12H,8,10H2
InChIKeyLDGRVIOHJFULPX-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.54
Rot. Bonds4

About 2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde

2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde (PubChem CID 66364551) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
PubChem CID66364551
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
SMILESO=Cc1c(Cl)cccc1OCC1Cc2ccccc2O1
InChIInChI=1S/C16H13ClO3/c17-14-5-3-7-16(13(14)9-18)19-10-12-8-11-4-1-2-6-15(11)20-12/h1-7,9,12H,8,10H2
InChIKeyLDGRVIOHJFULPX-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde?
The IUPAC name of 2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde (CID 66364551) is 2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde is O=Cc1c(Cl)cccc1OCC1Cc2ccccc2O1.
What is the InChIKey of 2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde?
The InChIKey is LDGRVIOHJFULPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-14-5-3-7-16(13(14)9-18)19-10-12-8-11-4-1-2-6-15(11)20-12/h1-7,9,12H,8,10H2.
What are the key properties of 2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde?
2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde has a molecular weight of 288.73 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 66364551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).