2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol

C12H13NO — CID 11217685

IUPAC2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol
SMILESCc1cc(C)c(O)c(-c2ccc[nH]2)c1
InChIInChI=1S/C12H13NO/c1-8-6-9(2)12(14)10(7-8)11-4-3-5-13-11/h3-7,13-14H,1-2H3
InChIKeyVPGMTWNHCOZNPU-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.00
Rot. Bonds1

About 2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol

2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol (PubChem CID 11217685) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol.

Molecular Properties

Compound Name2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol
PubChem CID11217685
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol
SMILESCc1cc(C)c(O)c(-c2ccc[nH]2)c1
InChIInChI=1S/C12H13NO/c1-8-6-9(2)12(14)10(7-8)11-4-3-5-13-11/h3-7,13-14H,1-2H3
InChIKeyVPGMTWNHCOZNPU-UHFFFAOYSA-N
XLogP3.00
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol?
The IUPAC name of 2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol (CID 11217685) is 2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol.
What is the SMILES notation for 2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol?
The canonical SMILES for 2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol is Cc1cc(C)c(O)c(-c2ccc[nH]2)c1.
What is the InChIKey of 2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol?
The InChIKey is VPGMTWNHCOZNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-6-9(2)12(14)10(7-8)11-4-3-5-13-11/h3-7,13-14H,1-2H3.
What are the key properties of 2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol?
2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol has a molecular weight of 187.24 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(1H-pyrrol-2-yl)phenol is sourced from PubChem (CID 11217685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).