3-(3-phenylpyrrol-3-yl)butan-1-ol

C14H17NO — CID 140991174

IUPAC3-(3-phenylpyrrol-3-yl)butan-1-ol
SMILESCC(CCO)C1(c2ccccc2)C=CN=C1
InChIInChI=1S/C14H17NO/c1-12(7-10-16)14(8-9-15-11-14)13-5-3-2-4-6-13/h2-6,8-9,11-12,16H,7,10H2,1H3
InChIKeyWHZSNYCPHINDQC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.54
Rot. Bonds4

About 3-(3-phenylpyrrol-3-yl)butan-1-ol

3-(3-phenylpyrrol-3-yl)butan-1-ol (PubChem CID 140991174) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(3-phenylpyrrol-3-yl)butan-1-ol.

Molecular Properties

Compound Name3-(3-phenylpyrrol-3-yl)butan-1-ol
PubChem CID140991174
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(3-phenylpyrrol-3-yl)butan-1-ol
SMILESCC(CCO)C1(c2ccccc2)C=CN=C1
InChIInChI=1S/C14H17NO/c1-12(7-10-16)14(8-9-15-11-14)13-5-3-2-4-6-13/h2-6,8-9,11-12,16H,7,10H2,1H3
InChIKeyWHZSNYCPHINDQC-UHFFFAOYSA-N
XLogP2.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpyrrol-3-yl)butan-1-ol?
The IUPAC name of 3-(3-phenylpyrrol-3-yl)butan-1-ol (CID 140991174) is 3-(3-phenylpyrrol-3-yl)butan-1-ol.
What is the SMILES notation for 3-(3-phenylpyrrol-3-yl)butan-1-ol?
The canonical SMILES for 3-(3-phenylpyrrol-3-yl)butan-1-ol is CC(CCO)C1(c2ccccc2)C=CN=C1.
What is the InChIKey of 3-(3-phenylpyrrol-3-yl)butan-1-ol?
The InChIKey is WHZSNYCPHINDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-12(7-10-16)14(8-9-15-11-14)13-5-3-2-4-6-13/h2-6,8-9,11-12,16H,7,10H2,1H3.
What are the key properties of 3-(3-phenylpyrrol-3-yl)butan-1-ol?
3-(3-phenylpyrrol-3-yl)butan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpyrrol-3-yl)butan-1-ol is sourced from PubChem (CID 140991174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).