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

C13H13Cl2NO — CID 900416

IUPAC[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol
SMILESCc1cc(CO)c(C)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NO/c1-8-5-10(7-17)9(2)16(8)11-3-4-12(14)13(15)6-11/h3-6,17H,7H2,1-2H3
InChIKeyJNDDMCSFTUGPOG-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.89
Rot. Bonds2

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

[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol (PubChem CID 900416) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol
PubChem CID900416
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol
SMILESCc1cc(CO)c(C)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NO/c1-8-5-10(7-17)9(2)16(8)11-3-4-12(14)13(15)6-11/h3-6,17H,7H2,1-2H3
InChIKeyJNDDMCSFTUGPOG-UHFFFAOYSA-N
XLogP3.89
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 20983273
2-[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
CID 3039305
2-[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetonitrile
CID 12951933
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol
CID 170871674
[1-[4-[(4-bromophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methanol
CID 45371614
1-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]propan-2-one
CID 82133166
2-chloro-4-(3-chloro-2,5-dimethylpyrrol-1-yl)aniline
CID 82513973
N-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 126001756
(5Z)-5-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126241031
1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 1047840
1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 1047838
2-chloro-5-(2,3,5-trimethylpyrrol-1-yl)benzoic acid
CID 123317683

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol?
The IUPAC name of [1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol (CID 900416) is [1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol?
The canonical SMILES for [1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol is Cc1cc(CO)c(C)n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol?
The InChIKey is JNDDMCSFTUGPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-8-5-10(7-17)9(2)16(8)11-3-4-12(14)13(15)6-11/h3-6,17H,7H2,1-2H3.
What are the key properties of [1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol?
[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol has a molecular weight of 270.16 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol is sourced from PubChem (CID 900416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).