[5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol

C13H14ClNO — CID 116828847

IUPAC[5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
SMILESCc1c(CO)cc(-c2ccc(Cl)cc2)n1C
InChIInChI=1S/C13H14ClNO/c1-9-11(8-16)7-13(15(9)2)10-3-5-12(14)6-4-10/h3-7,16H,8H2,1-2H3
InChIKeyZCKVICHGHOPQNZ-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.15
Rot. Bonds2

About [5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol

[5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol (PubChem CID 116828847) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
PubChem CID116828847
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name[5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
SMILESCc1c(CO)cc(-c2ccc(Cl)cc2)n1C
InChIInChI=1S/C13H14ClNO/c1-9-11(8-16)7-13(15(9)2)10-3-5-12(14)6-4-10/h3-7,16H,8H2,1-2H3
InChIKeyZCKVICHGHOPQNZ-UHFFFAOYSA-N
XLogP3.15
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2,5-difluorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
CID 116828876
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
[5-(4-chlorophenyl)-2-methylfuran-3-yl]methanol
CID 7245332
(1,2-dimethyl-5-phenylpyrrol-3-yl)methanamine
CID 82506137
[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095867
3-[5-(4-chlorophenyl)-2,4-dimethylphenyl]prop-1-en-2-ol
CID 59774003
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine
CID 171350366
5-(4-chlorophenyl)-1,3-dimethyl-2-phenylpyrrole
CID 102119447
CID 155597827
CID 155597827
ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
CID 22159888
4-amino-6-(4-chlorophenyl)-1-methylpyridin-2-one
CID 105495523

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol?
The IUPAC name of [5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol (CID 116828847) is [5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol is Cc1c(CO)cc(-c2ccc(Cl)cc2)n1C.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol?
The InChIKey is ZCKVICHGHOPQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-9-11(8-16)7-13(15(9)2)10-3-5-12(14)6-4-10/h3-7,16H,8H2,1-2H3.
What are the key properties of [5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol?
[5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol has a molecular weight of 235.71 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol is sourced from PubChem (CID 116828847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).