2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile

C16H15NO2 — CID 20513415

IUPAC2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile
SMILESCOc1c(CC#N)cccc1Oc1ccccc1C
InChIInChI=1S/C16H15NO2/c1-12-6-3-4-8-14(12)19-15-9-5-7-13(10-11-17)16(15)18-2/h3-9H,10H2,1-2H3
InChIKeyIXLMMSZXAGRPDJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.86
Rot. Bonds4

About 2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile

2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile (PubChem CID 20513415) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile
PubChem CID20513415
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile
SMILESCOc1c(CC#N)cccc1Oc1ccccc1C
InChIInChI=1S/C16H15NO2/c1-12-6-3-4-8-14(12)19-15-9-5-7-13(10-11-17)16(15)18-2/h3-9H,10H2,1-2H3
InChIKeyIXLMMSZXAGRPDJ-UHFFFAOYSA-N
XLogP3.86
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-2-methoxyphenyl)acetonitrile
CID 46737695
1,2,3-tris(2-methylphenoxy)benzene
CID 139940567
1,2-dimethoxy-3-prop-2-ynylbenzene
CID 119082494
2-methoxy-3-(2-methylphenoxy)benzaldehyde
CID 13066662
2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
CID 84767792
2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]acetonitrile
CID 22356632
2-[2-methoxy-3-(thian-4-yloxy)phenyl]acetonitrile
CID 117413381
2-[2-amino-5-(2-methylphenoxy)phenyl]acetonitrile
CID 102624823
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
1-(2-chloroethyl)-3-[3-(2-chloroethyl)-2-methoxyphenoxy]-2-methoxybenzene
CID 70074323
2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile
CID 82503447

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile?
The IUPAC name of 2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile (CID 20513415) is 2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile is COc1c(CC#N)cccc1Oc1ccccc1C.
What is the InChIKey of 2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile?
The InChIKey is IXLMMSZXAGRPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-6-3-4-8-14(12)19-15-9-5-7-13(10-11-17)16(15)18-2/h3-9H,10H2,1-2H3.
What are the key properties of 2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile?
2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile is sourced from PubChem (CID 20513415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).