2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole

C15H19NO — CID 82081578

IUPAC2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole
SMILESCCCn1c(C)ccc1-c1ccc(OC)cc1
InChIInChI=1S/C15H19NO/c1-4-11-16-12(2)5-10-15(16)13-6-8-14(17-3)9-7-13/h5-10H,4,11H2,1-3H3
InChIKeyVDIVEAZBSGXSHA-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole

2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole (PubChem CID 82081578) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole
PubChem CID82081578
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole
SMILESCCCn1c(C)ccc1-c1ccc(OC)cc1
InChIInChI=1S/C15H19NO/c1-4-11-16-12(2)5-10-15(16)13-6-8-14(17-3)9-7-13/h5-10H,4,11H2,1-3H3
InChIKeyVDIVEAZBSGXSHA-UHFFFAOYSA-N
XLogP3.88
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid
CID 91673181
2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole
CID 82084768
3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propylpyridin-2-one
CID 82518062
4-(1-dodecyl-5-methylpyrrol-2-yl)phenol
CID 22387704
methyl 2-ethoxy-3-[6-[2-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]naphthalen-2-yl]propanoate
CID 22168765
5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
CID 44588473
2-(4-methoxyphenyl)-3-propylimidazo[4,5-b]quinoxaline
CID 663511
1-methoxy-4-methylbenzene;propane
CID 142064987
3-[1-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 894283
1-(4-bromophenyl)-2-[4-(4-methoxyphenyl)phenyl]-5-methylpyrrole
CID 22387522
2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole
CID 71514000
2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole
CID 13415867

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole?
The IUPAC name of 2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole (CID 82081578) is 2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole is CCCn1c(C)ccc1-c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole?
The InChIKey is VDIVEAZBSGXSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-11-16-12(2)5-10-15(16)13-6-8-14(17-3)9-7-13/h5-10H,4,11H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole?
2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole has a molecular weight of 229.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole is sourced from PubChem (CID 82081578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).