1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol

C14H15Cl2NO — CID 79105638

IUPAC1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H15Cl2NO/c1-2-14(18)11-5-6-17(9-11)8-10-3-4-12(15)13(16)7-10/h3-7,9,14,18H,2,8H2,1H3
InChIKeyRGPSRGRZVBERQM-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.29
Rot. Bonds4

About 1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol

1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 79105638) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol
PubChem CID79105638
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H15Cl2NO/c1-2-14(18)11-5-6-17(9-11)8-10-3-4-12(15)13(16)7-10/h3-7,9,14,18H,2,8H2,1H3
InChIKeyRGPSRGRZVBERQM-UHFFFAOYSA-N
XLogP4.29
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79108960
3-[[3-(1-hydroxypropyl)pyrrol-1-yl]methyl]benzonitrile
CID 79104855
N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79098339
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105390
1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 113470054
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 107883249
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 107883348
1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-ol
CID 79173585
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 103041267
1-[1-(2-ethylbutyl)pyrrol-3-yl]propan-1-ol
CID 82929201
1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105296
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79104672

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol (CID 79105638) is 1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol is CCC(O)c1ccn(Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is RGPSRGRZVBERQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-2-14(18)11-5-6-17(9-11)8-10-3-4-12(15)13(16)7-10/h3-7,9,14,18H,2,8H2,1H3.
What are the key properties of 1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol?
1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 284.19 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79105638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).