[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol

C20H21NO2 — CID 893146

IUPAC[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol
SMILESCc1cc(CO)c(C)n1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H21NO2/c1-15-12-18(13-22)16(2)21(15)19-8-10-20(11-9-19)23-14-17-6-4-3-5-7-17/h3-12,22H,13-14H2,1-2H3
InChIKeyPDICSVJYRWDJQU-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.17
Rot. Bonds5

About [2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol

[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol (PubChem CID 893146) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is [2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol
PubChem CID893146
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol
SMILESCc1cc(CO)c(C)n1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H21NO2/c1-15-12-18(13-22)16(2)21(15)19-8-10-20(11-9-19)23-14-17-6-4-3-5-7-17/h3-12,22H,13-14H2,1-2H3
InChIKeyPDICSVJYRWDJQU-UHFFFAOYSA-N
XLogP4.17
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol?
The IUPAC name of [2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol (CID 893146) is [2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol?
The canonical SMILES for [2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol is Cc1cc(CO)c(C)n1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol?
The InChIKey is PDICSVJYRWDJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15-12-18(13-22)16(2)21(15)19-8-10-20(11-9-19)23-14-17-6-4-3-5-7-17/h3-12,22H,13-14H2,1-2H3.
What are the key properties of [2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol?
[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol has a molecular weight of 307.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 893146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).