(1-phenyl-3-propylpyrrol-2-yl)methanol

C14H17NO — CID 86019425

IUPAC(1-phenyl-3-propylpyrrol-2-yl)methanol
SMILESCCCc1ccn(-c2ccccc2)c1CO
InChIInChI=1S/C14H17NO/c1-2-6-12-9-10-15(14(12)11-16)13-7-4-3-5-8-13/h3-5,7-10,16H,2,6,11H2,1H3
InChIKeyKRYUBUVHKTUFRP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.92
Rot. Bonds4

About (1-phenyl-3-propylpyrrol-2-yl)methanol

(1-phenyl-3-propylpyrrol-2-yl)methanol (PubChem CID 86019425) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (1-phenyl-3-propylpyrrol-2-yl)methanol.

Molecular Properties

Compound Name(1-phenyl-3-propylpyrrol-2-yl)methanol
PubChem CID86019425
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(1-phenyl-3-propylpyrrol-2-yl)methanol
SMILESCCCc1ccn(-c2ccccc2)c1CO
InChIInChI=1S/C14H17NO/c1-2-6-12-9-10-15(14(12)11-16)13-7-4-3-5-8-13/h3-5,7-10,16H,2,6,11H2,1H3
InChIKeyKRYUBUVHKTUFRP-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methylphenyl)-3-propylpyrrol-2-yl]methanol
CID 45098060
[1-(4-methoxyphenyl)-3-propylpyrrol-2-yl]methanol
CID 86019427
(1-phenyl-3-propan-2-ylpyrrol-2-yl)methanol
CID 57205841
4-(hydroxymethyl)-1-phenylpyridin-2-one
CID 18698767
5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole
CID 143732789
5-butyl-1-phenylindole
CID 162411237
hydroxy-oxo-(2-propylphenyl)phosphanium
CID 66861810
2-(2-propylphenyl)acetic acid
CID 46897017
1-phenyl-5-propylimidazole-4-carbaldehyde
CID 91313172
5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 141395682
2-methyl-1-phenylpyrrol-3-ol
CID 5324689
1-propylazulene
CID 10397225

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-propylpyrrol-2-yl)methanol?
The IUPAC name of (1-phenyl-3-propylpyrrol-2-yl)methanol (CID 86019425) is (1-phenyl-3-propylpyrrol-2-yl)methanol.
What is the SMILES notation for (1-phenyl-3-propylpyrrol-2-yl)methanol?
The canonical SMILES for (1-phenyl-3-propylpyrrol-2-yl)methanol is CCCc1ccn(-c2ccccc2)c1CO.
What is the InChIKey of (1-phenyl-3-propylpyrrol-2-yl)methanol?
The InChIKey is KRYUBUVHKTUFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-6-12-9-10-15(14(12)11-16)13-7-4-3-5-8-13/h3-5,7-10,16H,2,6,11H2,1H3.
What are the key properties of (1-phenyl-3-propylpyrrol-2-yl)methanol?
(1-phenyl-3-propylpyrrol-2-yl)methanol has a molecular weight of 215.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3-propylpyrrol-2-yl)methanol is sourced from PubChem (CID 86019425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).