2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol

C12H12ClNO — CID 63750366

IUPAC2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1)c1cc[nH]c1
InChIInChI=1S/C12H12ClNO/c13-11-3-1-2-9(6-11)7-12(15)10-4-5-14-8-10/h1-6,8,12,14-15H,7H2
InChIKeyAMNYAKSULGIAEH-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.94
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol

2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol (PubChem CID 63750366) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol
PubChem CID63750366
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1)c1cc[nH]c1
InChIInChI=1S/C12H12ClNO/c13-11-3-1-2-9(6-11)7-12(15)10-4-5-14-8-10/h1-6,8,12,14-15H,7H2
InChIKeyAMNYAKSULGIAEH-UHFFFAOYSA-N
XLogP2.94
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol (CID 63750366) is 2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol is OC(Cc1cccc(Cl)c1)c1cc[nH]c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol?
The InChIKey is AMNYAKSULGIAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-11-3-1-2-9(6-11)7-12(15)10-4-5-14-8-10/h1-6,8,12,14-15H,7H2.
What are the key properties of 2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol?
2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol has a molecular weight of 221.69 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol is sourced from PubChem (CID 63750366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).