3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde

C16H11ClO3 — CID 154079625

IUPAC3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde
SMILESCOc1ccc2c(-c3ccc(Cl)cc3)c(C=O)oc2c1
InChIInChI=1S/C16H11ClO3/c1-19-12-6-7-13-14(8-12)20-15(9-18)16(13)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyWXDDDYULYSAXIO-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.57
Rot. Bonds3

About 3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde

3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde (PubChem CID 154079625) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde
PubChem CID154079625
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde
SMILESCOc1ccc2c(-c3ccc(Cl)cc3)c(C=O)oc2c1
InChIInChI=1S/C16H11ClO3/c1-19-12-6-7-13-14(8-12)20-15(9-18)16(13)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyWXDDDYULYSAXIO-UHFFFAOYSA-N
XLogP4.57
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde
CID 12535911
3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde
CID 135980369
3-(4-chlorophenyl)-6-methoxy-1-benzofuran
CID 69171668
2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran
CID 154708443
6-chloro-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-7-methylchromen-2-one
CID 3563283
3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide
CID 143084408
3-(2,4-dichlorophenoxy)-4-(4-hydroxyphenyl)-7-methoxychromen-2-one
CID 10320419
5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
CID 788114
7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl] 4-chlorobenzoate
CID 44963557
5-methoxy-3-methyl-2-benzofuran-1-carbaldehyde
CID 57019452

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde?
The IUPAC name of 3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde (CID 154079625) is 3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde is COc1ccc2c(-c3ccc(Cl)cc3)c(C=O)oc2c1.
What is the InChIKey of 3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde?
The InChIKey is WXDDDYULYSAXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c1-19-12-6-7-13-14(8-12)20-15(9-18)16(13)10-2-4-11(17)5-3-10/h2-9H,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde?
3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde has a molecular weight of 286.71 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 154079625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).