3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole

C14H17NO — CID 173064820

IUPAC3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole
SMILESCOc1ccc(C)c(-c2c(C)c[nH]c2C)c1
InChIInChI=1S/C14H17NO/c1-9-5-6-12(16-4)7-13(9)14-10(2)8-15-11(14)3/h5-8,15H,1-4H3
InChIKeyVTNXXFRRPKFPDH-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.62
Rot. Bonds2

About 3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole

3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole (PubChem CID 173064820) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole
PubChem CID173064820
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole
SMILESCOc1ccc(C)c(-c2c(C)c[nH]c2C)c1
InChIInChI=1S/C14H17NO/c1-9-5-6-12(16-4)7-13(9)14-10(2)8-15-11(14)3/h5-8,15H,1-4H3
InChIKeyVTNXXFRRPKFPDH-UHFFFAOYSA-N
XLogP3.62
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
(5-methoxy-2-methylphenyl) hypoiodite
CID 142839630
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
5-fluoro-1-(5-methoxy-2-methylphenyl)-2,3-dimethylbenzene
CID 146258257
1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene
CID 90975189
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
5-methoxy-3,7-dimethyl-1H-indole
CID 82490544
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 20715432
4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole
CID 50984185

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole?
The IUPAC name of 3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole (CID 173064820) is 3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole.
What is the SMILES notation for 3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole?
The canonical SMILES for 3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole is COc1ccc(C)c(-c2c(C)c[nH]c2C)c1.
What is the InChIKey of 3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole?
The InChIKey is VTNXXFRRPKFPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-5-6-12(16-4)7-13(9)14-10(2)8-15-11(14)3/h5-8,15H,1-4H3.
What are the key properties of 3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole?
3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole has a molecular weight of 215.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-methylphenyl)-2,4-dimethyl-1H-pyrrole is sourced from PubChem (CID 173064820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).