3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol

C15H18ClNO — CID 5179624

IUPAC3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol
SMILESCc1ccc(C)n1C(CCO)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO/c1-11-6-7-12(2)17(11)15(8-9-18)13-4-3-5-14(16)10-13/h3-7,10,15,18H,8-9H2,1-2H3
InChIKeyXSVVXIYJPGSYIQ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.73
Rot. Bonds4

About 3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol

3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol (PubChem CID 5179624) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol
PubChem CID5179624
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol
SMILESCc1ccc(C)n1C(CCO)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO/c1-11-6-7-12(2)17(11)15(8-9-18)13-4-3-5-14(16)10-13/h3-7,10,15,18H,8-9H2,1-2H3
InChIKeyXSVVXIYJPGSYIQ-UHFFFAOYSA-N
XLogP3.73
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010
[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid
CID 71254796
N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylpyrrol-1-amine
CID 79100478
(3-chlorophenyl)methanediol
CID 20679602
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol
CID 165131162
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 104663679

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol?
The IUPAC name of 3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol (CID 5179624) is 3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol?
The canonical SMILES for 3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol is Cc1ccc(C)n1C(CCO)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol?
The InChIKey is XSVVXIYJPGSYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-11-6-7-12(2)17(11)15(8-9-18)13-4-3-5-14(16)10-13/h3-7,10,15,18H,8-9H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol?
3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol has a molecular weight of 263.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-ol is sourced from PubChem (CID 5179624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).