3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran

C13H13ClO3 — CID 101459550

IUPAC3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran
SMILESCOc1ccc(-c2occ(C)c2Cl)cc1OC
InChIInChI=1S/C13H13ClO3/c1-8-7-17-13(12(8)14)9-4-5-10(15-2)11(6-9)16-3/h4-7H,1-3H3
InChIKeyROIPRIBPQJDXJC-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.93
Rot. Bonds3

About 3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran

3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran (PubChem CID 101459550) has the molecular formula C13H13ClO3 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran.

Molecular Properties

Compound Name3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran
PubChem CID101459550
Molecular FormulaC13H13ClO3
Molecular Weight252.70 g/mol
Exact Mass252.06
IUPAC Name3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran
SMILESCOc1ccc(-c2occ(C)c2Cl)cc1OC
InChIInChI=1S/C13H13ClO3/c1-8-7-17-13(12(8)14)9-4-5-10(15-2)11(6-9)16-3/h4-7H,1-3H3
InChIKeyROIPRIBPQJDXJC-UHFFFAOYSA-N
XLogP3.93
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole
CID 13268420
2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran
CID 11428312
3,5-dichloro-6-(3,4-dimethoxyphenyl)-1,4-oxazin-2-one
CID 45118060
5-[5-(3,4-dimethoxyphenyl)-3-methylfuran-2-yl]-2-methoxyphenol
CID 143935869
4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
CID 43557828
2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran
CID 11069311
6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one
CID 164684649
4-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-3H-1,3-oxazole-2-thione
CID 21408355
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
CID 1413436
5-chloro-8-(3,4-dimethoxyphenyl)-6,7-dimethylbenzo[f][1,3]benzodioxole
CID 11440150

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran?
The IUPAC name of 3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran (CID 101459550) is 3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran.
What is the SMILES notation for 3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran?
The canonical SMILES for 3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran is COc1ccc(-c2occ(C)c2Cl)cc1OC.
What is the InChIKey of 3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran?
The InChIKey is ROIPRIBPQJDXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO3/c1-8-7-17-13(12(8)14)9-4-5-10(15-2)11(6-9)16-3/h4-7H,1-3H3.
What are the key properties of 3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran?
3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran has a molecular weight of 252.70 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3,4-dimethoxyphenyl)-4-methylfuran is sourced from PubChem (CID 101459550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).