2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol

C14H17NO — CID 18735174

IUPAC2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol
SMILESCC(CC1=NC=CC1)C(O)c1ccccc1
InChIInChI=1S/C14H17NO/c1-11(10-13-8-5-9-15-13)14(16)12-6-3-2-4-7-12/h2-7,9,11,14,16H,8,10H2,1H3
InChIKeyLPWYUJWRGCLLIU-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.10
Rot. Bonds4

About 2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol

2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol (PubChem CID 18735174) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol
PubChem CID18735174
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol
SMILESCC(CC1=NC=CC1)C(O)c1ccccc1
InChIInChI=1S/C14H17NO/c1-11(10-13-8-5-9-15-13)14(16)12-6-3-2-4-7-12/h2-7,9,11,14,16H,8,10H2,1H3
InChIKeyLPWYUJWRGCLLIU-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-2-Methylimino-1-phenylpropan-1-ol
CID 656502
(2E)-2-hydroxyimino-1-phenylpropan-1-ol
CID 9561404
2-Imino-1-hydroxy-1-phenylpropane
CID 58308766
1-Hydroxy-1h-benzo[d]azepine
CID 67873283
2-Methylimino-1-phenylpropan-1-ol
CID 78202320
(2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol
CID 144927632
(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
CID 145107690
1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol
CID 147898535
[4-fluoro-2-[(E)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
CID 152840053
[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
CID 152840054
[2-(cyclopenten-1-yl)-4-fluorophenyl]-(3H-pyrrol-2-yl)methanol
CID 157307258
(2-cyclobutyl-4-fluorophenyl)-(3H-pyrrol-2-yl)methanol
CID 157827589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol (CID 18735174) is 2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol is CC(CC1=NC=CC1)C(O)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol?
The InChIKey is LPWYUJWRGCLLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11(10-13-8-5-9-15-13)14(16)12-6-3-2-4-7-12/h2-7,9,11,14,16H,8,10H2,1H3.
What are the key properties of 2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol?
2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)propan-1-ol is sourced from PubChem (CID 18735174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).