3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol

C14H17NO — CID 66914813

IUPAC3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol
SMILESCc1cc(-c2ccccc2)cn1CCCO
InChIInChI=1S/C14H17NO/c1-12-10-14(11-15(12)8-5-9-16)13-6-3-2-4-7-13/h2-4,6-7,10-11,16H,5,8-9H2,1H3
InChIKeyCGGOKAYNDMHZTJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.85
Rot. Bonds4

About 3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol

3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol (PubChem CID 66914813) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol
PubChem CID66914813
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol
SMILESCc1cc(-c2ccccc2)cn1CCCO
InChIInChI=1S/C14H17NO/c1-12-10-14(11-15(12)8-5-9-16)13-6-3-2-4-7-13/h2-4,6-7,10-11,16H,5,8-9H2,1H3
InChIKeyCGGOKAYNDMHZTJ-UHFFFAOYSA-N
XLogP2.85
TPSA25.16 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol?
The IUPAC name of 3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol (CID 66914813) is 3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol?
The canonical SMILES for 3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol is Cc1cc(-c2ccccc2)cn1CCCO.
What is the InChIKey of 3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol?
The InChIKey is CGGOKAYNDMHZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-12-10-14(11-15(12)8-5-9-16)13-6-3-2-4-7-13/h2-4,6-7,10-11,16H,5,8-9H2,1H3.
What are the key properties of 3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol?
3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-phenylpyrrol-1-yl)propan-1-ol is sourced from PubChem (CID 66914813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).