1-phenyl-4-pyrrol-1-ylbutan-1-ol

C14H17NO — CID 162399737

IUPAC1-phenyl-4-pyrrol-1-ylbutan-1-ol
SMILESOC(CCCn1cccc1)c1ccccc1
InChIInChI=1S/C14H17NO/c16-14(13-7-2-1-3-8-13)9-6-12-15-10-4-5-11-15/h1-5,7-8,10-11,14,16H,6,9,12H2
InChIKeyAPQMSSFVUIWVDX-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.00
Rot. Bonds5

About 1-phenyl-4-pyrrol-1-ylbutan-1-ol

1-phenyl-4-pyrrol-1-ylbutan-1-ol (PubChem CID 162399737) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-phenyl-4-pyrrol-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-phenyl-4-pyrrol-1-ylbutan-1-ol
PubChem CID162399737
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-phenyl-4-pyrrol-1-ylbutan-1-ol
SMILESOC(CCCn1cccc1)c1ccccc1
InChIInChI=1S/C14H17NO/c16-14(13-7-2-1-3-8-13)9-6-12-15-10-4-5-11-15/h1-5,7-8,10-11,14,16H,6,9,12H2
InChIKeyAPQMSSFVUIWVDX-UHFFFAOYSA-N
XLogP3.00
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-pyrrol-1-ylbutan-1-ol?
The IUPAC name of 1-phenyl-4-pyrrol-1-ylbutan-1-ol (CID 162399737) is 1-phenyl-4-pyrrol-1-ylbutan-1-ol.
What is the SMILES notation for 1-phenyl-4-pyrrol-1-ylbutan-1-ol?
The canonical SMILES for 1-phenyl-4-pyrrol-1-ylbutan-1-ol is OC(CCCn1cccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-4-pyrrol-1-ylbutan-1-ol?
The InChIKey is APQMSSFVUIWVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(13-7-2-1-3-8-13)9-6-12-15-10-4-5-11-15/h1-5,7-8,10-11,14,16H,6,9,12H2.
What are the key properties of 1-phenyl-4-pyrrol-1-ylbutan-1-ol?
1-phenyl-4-pyrrol-1-ylbutan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-pyrrol-1-ylbutan-1-ol is sourced from PubChem (CID 162399737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).