[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol

C13H15NO — CID 159860379

IUPAC[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol
SMILESCC1=C(C)N=C(c2ccc(CO)cc2)C1
InChIInChI=1S/C13H15NO/c1-9-7-13(14-10(9)2)12-5-3-11(8-15)4-6-12/h3-6,15H,7-8H2,1-2H3
InChIKeyNRBJSZXYOQBNIV-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.67
Rot. Bonds2

About [4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol

[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol (PubChem CID 159860379) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is [4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol
PubChem CID159860379
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol
SMILESCC1=C(C)N=C(c2ccc(CO)cc2)C1
InChIInChI=1S/C13H15NO/c1-9-7-13(14-10(9)2)12-5-3-11(8-15)4-6-12/h3-6,15H,7-8H2,1-2H3
InChIKeyNRBJSZXYOQBNIV-UHFFFAOYSA-N
XLogP2.67
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol?
The IUPAC name of [4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol (CID 159860379) is [4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol.
What is the SMILES notation for [4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol?
The canonical SMILES for [4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol is CC1=C(C)N=C(c2ccc(CO)cc2)C1.
What is the InChIKey of [4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol?
The InChIKey is NRBJSZXYOQBNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-7-13(14-10(9)2)12-5-3-11(8-15)4-6-12/h3-6,15H,7-8H2,1-2H3.
What are the key properties of [4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol?
[4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol has a molecular weight of 201.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dimethyl-3H-pyrrol-2-yl)phenyl]methanol is sourced from PubChem (CID 159860379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).