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

C14H17NO — CID 11435866

IUPAC(2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol
SMILESCc1cccn1[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H17NO/c1-12-6-5-9-15(12)14(11-16)10-13-7-3-2-4-8-13/h2-9,14,16H,10-11H2,1H3/t14-/m1/s1
InChIKeyGAYVKGRXYQUYBC-CQSZACIVSA-N
MW215.30 g/mol
LogP2.57
Rot. Bonds4

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

(2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol (PubChem CID 11435866) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol
PubChem CID11435866
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol
SMILESCc1cccn1[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H17NO/c1-12-6-5-9-15(12)14(11-16)10-13-7-3-2-4-8-13/h2-9,14,16H,10-11H2,1H3/t14-/m1/s1
InChIKeyGAYVKGRXYQUYBC-CQSZACIVSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-methylpyrrol-1-yl)propan-1-ol
CID 45087799
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione
CID 107861517
2-[2-(2-methyl-4,5-diphenylphenyl)imidazol-1-yl]-3-phenylpropan-1-ol
CID 123341940
(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol
CID 107863697
1-[1-hydroxy-3-(3-phenylphenyl)propan-2-yl]pyridin-2-one
CID 166542262
2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol
CID 72965520
(2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol
CID 107863705
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]azepane-2,7-dione
CID 107861522
(2R)-2-morpholin-4-yl-3-phenylpropan-1-ol
CID 107861547
2-methyl-1-[(1S)-1-phenylpropyl]pyrrole
CID 175326097
2-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104549566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol (CID 11435866) is (2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol is Cc1cccn1[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol?
The InChIKey is GAYVKGRXYQUYBC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17NO/c1-12-6-5-9-15(12)14(11-16)10-13-7-3-2-4-8-13/h2-9,14,16H,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol?
(2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 11435866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).