3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol

C14H16ClNO — CID 102106355

IUPAC3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol
SMILESCn1cccc1C(CCO)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c1-16-9-2-3-14(16)13(8-10-17)11-4-6-12(15)7-5-11/h2-7,9,13,17H,8,10H2,1H3
InChIKeyFFZJGVZHKVQLGF-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.19
Rot. Bonds4

About 3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol

3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol (PubChem CID 102106355) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol
PubChem CID102106355
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol
SMILESCn1cccc1C(CCO)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c1-16-9-2-3-14(16)13(8-10-17)11-4-6-12(15)7-5-11/h2-7,9,13,17H,8,10H2,1H3
InChIKeyFFZJGVZHKVQLGF-UHFFFAOYSA-N
XLogP3.19
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol
CID 102106350
(R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293052
4-(1-methylpyrrol-2-yl)-4-phenylbutan-2-one
CID 102404112
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
3-(1-methylpyrrol-2-yl)butan-1-amine
CID 82595087
1-(1-methylpyrrol-2-yl)ethanethiol
CID 170267001
1-(4-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 46398470
N-[(4-chlorophenyl)methyl]-N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496402
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952
3,3-bis(4-chlorophenyl)propan-1-amine
CID 15014585
(1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine
CID 171212571
3-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propanoic acid
CID 82486458

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol?
The IUPAC name of 3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol (CID 102106355) is 3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol is Cn1cccc1C(CCO)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol?
The InChIKey is FFZJGVZHKVQLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-16-9-2-3-14(16)13(8-10-17)11-4-6-12(15)7-5-11/h2-7,9,13,17H,8,10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol?
3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol has a molecular weight of 249.74 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol is sourced from PubChem (CID 102106355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).