(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile

C20H17NO — CID 101449717

IUPAC(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile
SMILESC[C@](C#N)(c1ccccc1)[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C20H17NO/c1-20(14-21,16-10-3-2-4-11-16)19(22)18-13-7-9-15-8-5-6-12-17(15)18/h2-13,19,22H,1H3/t19-,20-/m0/s1
InChIKeyLFSKEUQWYWVYFW-PMACEKPBSA-N
MW287.36 g/mol
LogP4.35
Rot. Bonds3

About (2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile

(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile (PubChem CID 101449717) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile
PubChem CID101449717
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile
SMILESC[C@](C#N)(c1ccccc1)[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C20H17NO/c1-20(14-21,16-10-3-2-4-11-16)19(22)18-13-7-9-15-8-5-6-12-17(15)18/h2-13,19,22H,1H3/t19-,20-/m0/s1
InChIKeyLFSKEUQWYWVYFW-PMACEKPBSA-N
XLogP4.35
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
CID 102509549
(2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile
CID 102509565
N-[(2S)-2-cyano-1-naphthalen-1-yl-2-phenylbutyl]benzamide
CID 44890546
dinaphthalen-1-ylmethyl thiocyanate
CID 42603483
(2R)-2-amino-2-naphthalen-1-yl-1,1-diphenylethanol
CID 66807943
1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride
CID 174387641
2-cyano-2-[(2,6-dimethylphenyl)-naphthalen-1-ylmethyl]-3,3-dimethylbutanoic acid
CID 69132969
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile?
The IUPAC name of (2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile (CID 101449717) is (2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile?
The canonical SMILES for (2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile is C[C@](C#N)(c1ccccc1)[C@@H](O)c1cccc2ccccc12.
What is the InChIKey of (2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile?
The InChIKey is LFSKEUQWYWVYFW-PMACEKPBSA-N. The full InChI is InChI=1S/C20H17NO/c1-20(14-21,16-10-3-2-4-11-16)19(22)18-13-7-9-15-8-5-6-12-17(15)18/h2-13,19,22H,1H3/t19-,20-/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile?
(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile has a molecular weight of 287.36 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile is sourced from PubChem (CID 101449717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).