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

C14H17NO — CID 1084373

IUPAC[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol
SMILESCc1ccc(-n2c(C)cc(CO)c2C)cc1
InChIInChI=1S/C14H17NO/c1-10-4-6-14(7-5-10)15-11(2)8-13(9-16)12(15)3/h4-8,16H,9H2,1-3H3
InChIKeyNYQSLDUTHOJFDH-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.89
Rot. Bonds2

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

[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol (PubChem CID 1084373) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is [2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol
PubChem CID1084373
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol
SMILESCc1ccc(-n2c(C)cc(CO)c2C)cc1
InChIInChI=1S/C14H17NO/c1-10-4-6-14(7-5-10)15-11(2)8-13(9-16)12(15)3/h4-8,16H,9H2,1-3H3
InChIKeyNYQSLDUTHOJFDH-UHFFFAOYSA-N
XLogP2.89
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylphenyl)pyrrol-3-yl]methanol?
The IUPAC name of [2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol (CID 1084373) is [2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol?
The canonical SMILES for [2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol is Cc1ccc(-n2c(C)cc(CO)c2C)cc1.
What is the InChIKey of [2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol?
The InChIKey is NYQSLDUTHOJFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-4-6-14(7-5-10)15-11(2)8-13(9-16)12(15)3/h4-8,16H,9H2,1-3H3.
What are the key properties of [2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol?
[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol has a molecular weight of 215.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 1084373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).