5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran

C16H13ClO2 — CID 788114

IUPAC5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
SMILESCOc1ccc(-c2c(C)oc3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H13ClO2/c1-10-16(11-3-6-13(18-2)7-4-11)14-9-12(17)5-8-15(14)19-10/h3-9H,1-2H3
InChIKeyITZOOZQAMHRFEH-UHFFFAOYSA-N
MW272.73 g/mol
LogP5.07
Rot. Bonds2

About 5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran

5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran (PubChem CID 788114) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran.

Molecular Properties

Compound Name5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
PubChem CID788114
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
SMILESCOc1ccc(-c2c(C)oc3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H13ClO2/c1-10-16(11-3-6-13(18-2)7-4-11)14-9-12(17)5-8-15(14)19-10/h3-9H,1-2H3
InChIKeyITZOOZQAMHRFEH-UHFFFAOYSA-N
XLogP5.07
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.73
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol
CID 12535905
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
6-chloro-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-7-methylchromen-2-one
CID 3563283
3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran
CID 177459326
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
CID 141261100
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde
CID 154079625
7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene
CID 139260247
6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one
CID 13443565
5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde
CID 12535911
(7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene
CID 7054860
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran?
The IUPAC name of 5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran (CID 788114) is 5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran.
What is the SMILES notation for 5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran?
The canonical SMILES for 5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran is COc1ccc(-c2c(C)oc3ccc(Cl)cc23)cc1.
What is the InChIKey of 5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran?
The InChIKey is ITZOOZQAMHRFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-10-16(11-3-6-13(18-2)7-4-11)14-9-12(17)5-8-15(14)19-10/h3-9H,1-2H3.
What are the key properties of 5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran?
5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran has a molecular weight of 272.73 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran is sourced from PubChem (CID 788114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).