2-(3-ethyl-1H-pyrrol-2-yl)phenol

C12H13NO — CID 70301806

IUPAC2-(3-ethyl-1H-pyrrol-2-yl)phenol
SMILESCCc1cc[nH]c1-c1ccccc1O
InChIInChI=1S/C12H13NO/c1-2-9-7-8-13-12(9)10-5-3-4-6-11(10)14/h3-8,13-14H,2H2,1H3
InChIKeySJUMXCJKMCACQD-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.95
Rot. Bonds2

About 2-(3-ethyl-1H-pyrrol-2-yl)phenol

2-(3-ethyl-1H-pyrrol-2-yl)phenol (PubChem CID 70301806) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(3-ethyl-1H-pyrrol-2-yl)phenol.

Molecular Properties

Compound Name2-(3-ethyl-1H-pyrrol-2-yl)phenol
PubChem CID70301806
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(3-ethyl-1H-pyrrol-2-yl)phenol
SMILESCCc1cc[nH]c1-c1ccccc1O
InChIInChI=1S/C12H13NO/c1-2-9-7-8-13-12(9)10-5-3-4-6-11(10)14/h3-8,13-14H,2H2,1H3
InChIKeySJUMXCJKMCACQD-UHFFFAOYSA-N
XLogP2.95
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1H-pyrrol-2-yl)phenol?
The IUPAC name of 2-(3-ethyl-1H-pyrrol-2-yl)phenol (CID 70301806) is 2-(3-ethyl-1H-pyrrol-2-yl)phenol.
What is the SMILES notation for 2-(3-ethyl-1H-pyrrol-2-yl)phenol?
The canonical SMILES for 2-(3-ethyl-1H-pyrrol-2-yl)phenol is CCc1cc[nH]c1-c1ccccc1O.
What is the InChIKey of 2-(3-ethyl-1H-pyrrol-2-yl)phenol?
The InChIKey is SJUMXCJKMCACQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-9-7-8-13-12(9)10-5-3-4-6-11(10)14/h3-8,13-14H,2H2,1H3.
What are the key properties of 2-(3-ethyl-1H-pyrrol-2-yl)phenol?
2-(3-ethyl-1H-pyrrol-2-yl)phenol has a molecular weight of 187.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1H-pyrrol-2-yl)phenol is sourced from PubChem (CID 70301806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).