1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol

C15H18ClNO — CID 79109675

IUPAC1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(Cc2ccccc2Cl)c1
InChIInChI=1S/C15H18ClNO/c1-2-5-15(18)13-8-9-17(11-13)10-12-6-3-4-7-14(12)16/h3-4,6-9,11,15,18H,2,5,10H2,1H3
InChIKeyGNSHBOMBWMEETG-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.02
Rot. Bonds5

About 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol

1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol (PubChem CID 79109675) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol
PubChem CID79109675
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(Cc2ccccc2Cl)c1
InChIInChI=1S/C15H18ClNO/c1-2-5-15(18)13-8-9-17(11-13)10-12-6-3-4-7-14(12)16/h3-4,6-9,11,15,18H,2,5,10H2,1H3
InChIKeyGNSHBOMBWMEETG-UHFFFAOYSA-N
XLogP4.02
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108230
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 106865848
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109053
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108236
[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 79103370
1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 107307293
1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol
CID 79109993
1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-3-yl]butan-1-ol
CID 116790132
2-[[3-(1-hydroxypropyl)pyrrol-1-yl]methyl]benzonitrile
CID 79105114
4-fluoro-2-[[3-(1-hydroxybutyl)pyrrol-1-yl]methyl]benzonitrile
CID 107906607
1-(1-but-2-enylpyrrol-3-yl)butan-1-ol
CID 79109051
N-[[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404531

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol (CID 79109675) is 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol is CCCC(O)c1ccn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol?
The InChIKey is GNSHBOMBWMEETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-2-5-15(18)13-8-9-17(11-13)10-12-6-3-4-7-14(12)16/h3-4,6-9,11,15,18H,2,5,10H2,1H3.
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol?
1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol has a molecular weight of 263.77 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol is sourced from PubChem (CID 79109675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).