2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol

C14H17NO — CID 57112217

IUPAC2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol
SMILESCC1(C(CO)Cc2ccccc2)C=CC=N1
InChIInChI=1S/C14H17NO/c1-14(8-5-9-15-14)13(11-16)10-12-6-3-2-4-7-12/h2-9,13,16H,10-11H2,1H3
InChIKeyMJMJYHOWHKXIDJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.24
Rot. Bonds4

About 2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol

2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol (PubChem CID 57112217) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol
PubChem CID57112217
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol
SMILESCC1(C(CO)Cc2ccccc2)C=CC=N1
InChIInChI=1S/C14H17NO/c1-14(8-5-9-15-14)13(11-16)10-12-6-3-2-4-7-12/h2-9,13,16H,10-11H2,1H3
InChIKeyMJMJYHOWHKXIDJ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(r,s)-3,3-Dimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 14638033
2-[2-[4-(4-Fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol
CID 57010627
2-[2-[1-Phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol
CID 57262496
2-[2-[4-(4-Fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol
CID 57276886
2-[2-[6-[2-[(4-Fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol
CID 57306570
[4-(4-Fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol
CID 70117167
2-[(2-Benzylpyrrol-2-yl)methyl]-3,3,3-trifluoropropane-1,2-diol
CID 91481850
1-(2,4-Difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
CID 91526392
(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)methanol
CID 102498820
(2S)-2-(3-methylbutylideneamino)-2-phenylethanol
CID 11481144
9-[2-(2-Phenylethyl)pyrrol-2-yl]nonane-1,8-diol
CID 56977286
2-(2-Benzylpyrrol-2-yl)ethanol
CID 56995075

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol?
The IUPAC name of 2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol (CID 57112217) is 2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol is CC1(C(CO)Cc2ccccc2)C=CC=N1.
What is the InChIKey of 2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol?
The InChIKey is MJMJYHOWHKXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-14(8-5-9-15-14)13(11-16)10-12-6-3-2-4-7-12/h2-9,13,16H,10-11H2,1H3.
What are the key properties of 2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol?
2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrol-2-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 57112217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).