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

C12H11ClO2 — CID 101459549

IUPAC3-chloro-2-(4-methoxyphenyl)-4-methylfuran
SMILESCOc1ccc(-c2occ(C)c2Cl)cc1
InChIInChI=1S/C12H11ClO2/c1-8-7-15-12(11(8)13)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3
InChIKeyCWJHGYKIZGSAPY-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.92
Rot. Bonds2

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

3-chloro-2-(4-methoxyphenyl)-4-methylfuran (PubChem CID 101459549) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 3-chloro-2-(4-methoxyphenyl)-4-methylfuran.

Molecular Properties

Compound Name3-chloro-2-(4-methoxyphenyl)-4-methylfuran
PubChem CID101459549
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name3-chloro-2-(4-methoxyphenyl)-4-methylfuran
SMILESCOc1ccc(-c2occ(C)c2Cl)cc1
InChIInChI=1S/C12H11ClO2/c1-8-7-15-12(11(8)13)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3
InChIKeyCWJHGYKIZGSAPY-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

3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran
CID 101459550
1-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole
CID 54104212
4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 82373262
1-methoxy-4-methylbenzene;propane
CID 142064987
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
CID 141261100

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-methoxyphenyl)-4-methylfuran?
The IUPAC name of 3-chloro-2-(4-methoxyphenyl)-4-methylfuran (CID 101459549) is 3-chloro-2-(4-methoxyphenyl)-4-methylfuran.
What is the SMILES notation for 3-chloro-2-(4-methoxyphenyl)-4-methylfuran?
The canonical SMILES for 3-chloro-2-(4-methoxyphenyl)-4-methylfuran is COc1ccc(-c2occ(C)c2Cl)cc1.
What is the InChIKey of 3-chloro-2-(4-methoxyphenyl)-4-methylfuran?
The InChIKey is CWJHGYKIZGSAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c1-8-7-15-12(11(8)13)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3.
What are the key properties of 3-chloro-2-(4-methoxyphenyl)-4-methylfuran?
3-chloro-2-(4-methoxyphenyl)-4-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-2-(4-methoxyphenyl)-4-methylfuran is sourced from PubChem (CID 101459549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).