4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole

C14H16ClN — CID 125482396

IUPAC4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole
SMILESCCCc1cc(Cc2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C14H16ClN/c1-2-3-14-9-12(10-16-14)8-11-4-6-13(15)7-5-11/h4-7,9-10,16H,2-3,8H2,1H3
InChIKeyXYZCFHDUYAAOIG-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.21
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole

4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole (PubChem CID 125482396) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole
PubChem CID125482396
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole
SMILESCCCc1cc(Cc2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C14H16ClN/c1-2-3-14-9-12(10-16-14)8-11-4-6-13(15)7-5-11/h4-7,9-10,16H,2-3,8H2,1H3
InChIKeyXYZCFHDUYAAOIG-UHFFFAOYSA-N
XLogP4.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
4-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylate
CID 160807804
1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene
CID 142052826
[4-[(4-chlorophenyl)methyl]phenyl]methanol
CID 22408254
1-chloro-4-[(3-ethylphenyl)methyl]benzene
CID 142052916
2,5-dipropyl-1H-pyrrole
CID 18668065
2-[(4-chlorophenyl)methyl]-5-methylsulfanyl-1H-pyrrole
CID 96590696
5-[(4-chlorophenyl)methyl]-1H-indole
CID 22417702
4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride
CID 82375202
6-[(4-chlorophenyl)methyl]-3-methyl-1H-pyridin-2-one
CID 58252401
N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
CID 151532022
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole (CID 125482396) is 4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole is CCCc1cc(Cc2ccc(Cl)cc2)c[nH]1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole?
The InChIKey is XYZCFHDUYAAOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-2-3-14-9-12(10-16-14)8-11-4-6-13(15)7-5-11/h4-7,9-10,16H,2-3,8H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole?
4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole has a molecular weight of 233.74 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole is sourced from PubChem (CID 125482396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).