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

C18H17NO — CID 4771831

IUPAC1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole
SMILESCOc1ccc(-n2c(C)ccc2-c2ccccc2)cc1
InChIInChI=1S/C18H17NO/c1-14-8-13-18(15-6-4-3-5-7-15)19(14)16-9-11-17(20-2)12-10-16/h3-13H,1-2H3
InChIKeyJYVWOBGKZSYFKM-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.46
Rot. Bonds3

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

1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole (PubChem CID 4771831) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole
PubChem CID4771831
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole
SMILESCOc1ccc(-n2c(C)ccc2-c2ccccc2)cc1
InChIInChI=1S/C18H17NO/c1-14-8-13-18(15-6-4-3-5-7-15)19(14)16-9-11-17(20-2)12-10-16/h3-13H,1-2H3
InChIKeyJYVWOBGKZSYFKM-UHFFFAOYSA-N
XLogP4.46
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethyl-2-(2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenoxy)ethanamine
CID 26377
6-Methoxyquinaldine
CID 70648
1-(4-methoxyphenyl)-1H-indole
CID 775715
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
3-[1-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-2-yl]propanoic acid
CID 708056
1-Ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole
CID 626468
3-methoxy-9-methyl-9H-carbazole
CID 2059429
Leiopyrole hydrochloride
CID 26376
2-(4-Methoxyphenyl)-4,6-diphenylpyridine
CID 1719430
1-(2-Methoxy-phenyl)-4-(1-methyl-5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 44364142
5-(benzyloxy)-1,2-dimethyl-1H-indole
CID 975124
2-[2-(4-Methoxyphenyl)ethyl]quinoline
CID 223220

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole (CID 4771831) is 1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole is COc1ccc(-n2c(C)ccc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole?
The InChIKey is JYVWOBGKZSYFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-14-8-13-18(15-6-4-3-5-7-15)19(14)16-9-11-17(20-2)12-10-16/h3-13H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole?
1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole has a molecular weight of 263.34 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methyl-5-phenylpyrrole is sourced from PubChem (CID 4771831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).