3-chloro-5-(4-methoxyphenyl)-2-methylfuran

C12H11ClO2 — CID 14592116

IUPAC3-chloro-5-(4-methoxyphenyl)-2-methylfuran
SMILESCOc1ccc(-c2cc(Cl)c(C)o2)cc1
InChIInChI=1S/C12H11ClO2/c1-8-11(13)7-12(15-8)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3
InChIKeyQOTNWGDMCIUKSH-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.92
Rot. Bonds2

About 3-chloro-5-(4-methoxyphenyl)-2-methylfuran

3-chloro-5-(4-methoxyphenyl)-2-methylfuran (PubChem CID 14592116) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 3-chloro-5-(4-methoxyphenyl)-2-methylfuran.

Molecular Properties

Compound Name3-chloro-5-(4-methoxyphenyl)-2-methylfuran
PubChem CID14592116
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name3-chloro-5-(4-methoxyphenyl)-2-methylfuran
SMILESCOc1ccc(-c2cc(Cl)c(C)o2)cc1
InChIInChI=1S/C12H11ClO2/c1-8-11(13)7-12(15-8)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3
InChIKeyQOTNWGDMCIUKSH-UHFFFAOYSA-N
XLogP3.92
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
2-(4-methoxyphenyl)-5-methylfuran
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2-(4-methoxyphenyl)-1-benzofuran
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2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
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N-(2-chloro-5-methoxyphenyl)-5-(4-fluorophenyl)-2-methylfuran-3-carboxamide
CID 16650857
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-methoxyphenyl)-2-methylfuran?
The IUPAC name of 3-chloro-5-(4-methoxyphenyl)-2-methylfuran (CID 14592116) is 3-chloro-5-(4-methoxyphenyl)-2-methylfuran.
What is the SMILES notation for 3-chloro-5-(4-methoxyphenyl)-2-methylfuran?
The canonical SMILES for 3-chloro-5-(4-methoxyphenyl)-2-methylfuran is COc1ccc(-c2cc(Cl)c(C)o2)cc1.
What is the InChIKey of 3-chloro-5-(4-methoxyphenyl)-2-methylfuran?
The InChIKey is QOTNWGDMCIUKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c1-8-11(13)7-12(15-8)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3.
What are the key properties of 3-chloro-5-(4-methoxyphenyl)-2-methylfuran?
3-chloro-5-(4-methoxyphenyl)-2-methylfuran has a molecular weight of 222.67 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-methoxyphenyl)-2-methylfuran is sourced from PubChem (CID 14592116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).