4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde

C16H11ClO2 — CID 114732125

IUPAC4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1-c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H11ClO2/c1-10-7-11(9-18)5-6-13(10)15-8-12-3-2-4-14(17)16(12)19-15/h2-9H,1H3
InChIKeyWRFWCHMGMAQCHC-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.87
Rot. Bonds2

About 4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde

4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde (PubChem CID 114732125) has the molecular formula C16H11ClO2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde
PubChem CID114732125
Molecular FormulaC16H11ClO2
Molecular Weight270.72 g/mol
Exact Mass270.04
IUPAC Name4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1-c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H11ClO2/c1-10-7-11(9-18)5-6-13(10)15-8-12-3-2-4-14(17)16(12)19-15/h2-9H,1H3
InChIKeyWRFWCHMGMAQCHC-UHFFFAOYSA-N
XLogP4.87
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.87
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 4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde?
The IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde (CID 114732125) is 4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde.
What is the SMILES notation for 4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde?
The canonical SMILES for 4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde is Cc1cc(C=O)ccc1-c1cc2cccc(Cl)c2o1.
What is the InChIKey of 4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde?
The InChIKey is WRFWCHMGMAQCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2/c1-10-7-11(9-18)5-6-13(10)15-8-12-3-2-4-14(17)16(12)19-15/h2-9H,1H3.
What are the key properties of 4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde?
4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde has a molecular weight of 270.72 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde is sourced from PubChem (CID 114732125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).