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

C19H15NO — CID 102509565

IUPAC(2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile
SMILESN#C[C@H](c1cccc2ccccc12)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H15NO/c20-13-18(19(21)15-8-2-1-3-9-15)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18-19,21H/t18-,19+/m1/s1
InChIKeyOXKQCXACCGZGTI-MOPGFXCFSA-N
MW273.34 g/mol
LogP4.18
Rot. Bonds3

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

(2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile (PubChem CID 102509565) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile
PubChem CID102509565
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name(2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile
SMILESN#C[C@H](c1cccc2ccccc12)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H15NO/c20-13-18(19(21)15-8-2-1-3-9-15)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18-19,21H/t18-,19+/m1/s1
InChIKeyOXKQCXACCGZGTI-MOPGFXCFSA-N
XLogP4.18
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
CID 102509549
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
(E,1R,2S)-2-naphthalen-1-yl-1-phenylhex-3-en-1-ol
CID 122206175
(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 132595061
3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile
CID 102032186
2-[hydroxy(naphthalen-1-yl)methyl]pentanenitrile
CID 79412199
2-cyano-3,3-dinaphthalen-1-ylpropanoic acid
CID 23634628
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-yl-2-phenylpropanenitrile
CID 101449717

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile?
The IUPAC name of (2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile (CID 102509565) is (2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile?
The canonical SMILES for (2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile is N#C[C@H](c1cccc2ccccc12)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile?
The InChIKey is OXKQCXACCGZGTI-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H15NO/c20-13-18(19(21)15-8-2-1-3-9-15)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18-19,21H/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile?
(2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile has a molecular weight of 273.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-naphthalen-1-yl-3-phenylpropanenitrile is sourced from PubChem (CID 102509565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).