4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole

C16H19NO — CID 141372749

IUPAC4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole
SMILESC=CCc1[nH]cc(Cc2ccc(OC)cc2)c1C
InChIInChI=1S/C16H19NO/c1-4-5-16-12(2)14(11-17-16)10-13-6-8-15(18-3)9-7-13/h4,6-9,11,17H,1,5,10H2,2-3H3
InChIKeyGUJUPLNNTRSVEH-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.65
Rot. Bonds5

About 4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole

4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole (PubChem CID 141372749) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole
PubChem CID141372749
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole
SMILESC=CCc1[nH]cc(Cc2ccc(OC)cc2)c1C
InChIInChI=1S/C16H19NO/c1-4-5-16-12(2)14(11-17-16)10-13-6-8-15(18-3)9-7-13/h4,6-9,11,17H,1,5,10H2,2-3H3
InChIKeyGUJUPLNNTRSVEH-UHFFFAOYSA-N
XLogP3.65
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole
CID 142774486
3,4-dimethyl-2-prop-2-enyl-1H-pyrrole
CID 174480670
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
N-[(4-methoxyphenyl)methylideneamino]-1-(4-prop-2-enylphenyl)methanimine
CID 54465845
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
ethyl 4-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 43826349
2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole
CID 122363305
1-(1-deuterioprop-2-enyl)-4-methoxybenzene
CID 131851779
methyl 2-ethenyl-5-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzoate
CID 118468109
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole (CID 141372749) is 4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole is C=CCc1[nH]cc(Cc2ccc(OC)cc2)c1C.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole?
The InChIKey is GUJUPLNNTRSVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-4-5-16-12(2)14(11-17-16)10-13-6-8-15(18-3)9-7-13/h4,6-9,11,17H,1,5,10H2,2-3H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole?
4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole has a molecular weight of 241.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole is sourced from PubChem (CID 141372749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).