2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile

C20H17NO — CID 141063911

IUPAC2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile
SMILESN#CCc1cccc(OCCc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H17NO/c21-12-10-16-4-3-7-20(15-16)22-13-11-17-8-9-18-5-1-2-6-19(18)14-17/h1-9,14-15H,10-11,13H2
InChIKeyBOUPTBHYNZWOII-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.53
Rot. Bonds5

About 2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile

2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile (PubChem CID 141063911) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile
PubChem CID141063911
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile
SMILESN#CCc1cccc(OCCc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H17NO/c21-12-10-16-4-3-7-20(15-16)22-13-11-17-8-9-18-5-1-2-6-19(18)14-17/h1-9,14-15H,10-11,13H2
InChIKeyBOUPTBHYNZWOII-UHFFFAOYSA-N
XLogP4.53
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-benzylphenoxy)ethyl]naphthalene
CID 141063921
2-[3-[2-(3-propoxyphenyl)ethyl]phenyl]acetonitrile
CID 141318106
2-[3-(2-chloroethoxy)phenyl]acetonitrile
CID 171785763
3-(2-naphthalen-2-ylethoxy)benzoic acid
CID 139922082
2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile
CID 142620478
2-(3-but-3-enoxyphenyl)acetonitrile
CID 70597705
2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
CID 170886344
(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid
CID 69316412
2-(3-naphthalen-2-ylphenyl)acetonitrile
CID 118847574
3-[2-[3-(2-naphthalen-2-ylethoxy)phenyl]ethylamino]propanoic acid
CID 23121301
3-naphthalen-2-ylpropanenitrile
CID 13308301
2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]acetonitrile
CID 57153655

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile (CID 141063911) is 2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile is N#CCc1cccc(OCCc2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile?
The InChIKey is BOUPTBHYNZWOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c21-12-10-16-4-3-7-20(15-16)22-13-11-17-8-9-18-5-1-2-6-19(18)14-17/h1-9,14-15H,10-11,13H2.
What are the key properties of 2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile?
2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile has a molecular weight of 287.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile is sourced from PubChem (CID 141063911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).