2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol

C13H14ClNO — CID 10704935

IUPAC2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
SMILESCn1ccc(C(O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H14ClNO/c1-15-7-6-11(9-15)13(16)8-10-2-4-12(14)5-3-10/h2-7,9,13,16H,8H2,1H3
InChIKeyBQQWULDXGZKMLW-UHFFFAOYSA-N
MW235.71 g/mol
LogP2.95
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol

2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol (PubChem CID 10704935) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
PubChem CID10704935
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
SMILESCn1ccc(C(O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H14ClNO/c1-15-7-6-11(9-15)13(16)8-10-2-4-12(14)5-3-10/h2-7,9,13,16H,8H2,1H3
InChIKeyBQQWULDXGZKMLW-UHFFFAOYSA-N
XLogP2.95
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
CID 10612074
1-(1-methylpyrrol-3-yl)propane-1,3-diol
CID 82280202
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978119
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 63519476
2-hydrazinyl-1-(1-methylpyrrol-3-yl)ethanol
CID 82280203
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 64989886

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol (CID 10704935) is 2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol is Cn1ccc(C(O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol?
The InChIKey is BQQWULDXGZKMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-15-7-6-11(9-15)13(16)8-10-2-4-12(14)5-3-10/h2-7,9,13,16H,8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol?
2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol has a molecular weight of 235.71 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol is sourced from PubChem (CID 10704935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).