2-methoxy-6-propan-2-ylbenzonitrile

C11H13NO — CID 59589303

IUPAC2-methoxy-6-propan-2-ylbenzonitrile
SMILESCOc1cccc(C(C)C)c1C#N
InChIInChI=1S/C11H13NO/c1-8(2)9-5-4-6-11(13-3)10(9)7-12/h4-6,8H,1-3H3
InChIKeyXSRMKJJDYUILFV-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.69
Rot. Bonds2

About 2-methoxy-6-propan-2-ylbenzonitrile

2-methoxy-6-propan-2-ylbenzonitrile (PubChem CID 59589303) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methoxy-6-propan-2-ylbenzonitrile.

Molecular Properties

Compound Name2-methoxy-6-propan-2-ylbenzonitrile
PubChem CID59589303
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-methoxy-6-propan-2-ylbenzonitrile
SMILESCOc1cccc(C(C)C)c1C#N
InChIInChI=1S/C11H13NO/c1-8(2)9-5-4-6-11(13-3)10(9)7-12/h4-6,8H,1-3H3
InChIKeyXSRMKJJDYUILFV-UHFFFAOYSA-N
XLogP2.69
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
2-fluoro-6-propan-2-ylbenzonitrile
CID 59589078
2-cyano-3-propan-2-ylbenzoic acid
CID 123659898
3-ethyl-2-methoxy-6-propan-2-ylbenzonitrile
CID 117291786
N-[4-(2-cyano-3-methoxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883543
CID 102002675
CID 102002675
2-fluoro-6-[1-(2-methoxyphenyl)ethylamino]benzonitrile
CID 43398727
2-ethoxy-6-(1-oxopropan-2-yl)benzonitrile
CID 134639504
2,6-di(propan-2-yl)-4-(3,4,5-trimethoxyphenyl)benzonitrile
CID 122220607
2-cyano-2-(2-methoxyphenyl)acetamide
CID 16762344
1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene
CID 172620672

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-propan-2-ylbenzonitrile?
The IUPAC name of 2-methoxy-6-propan-2-ylbenzonitrile (CID 59589303) is 2-methoxy-6-propan-2-ylbenzonitrile.
What is the SMILES notation for 2-methoxy-6-propan-2-ylbenzonitrile?
The canonical SMILES for 2-methoxy-6-propan-2-ylbenzonitrile is COc1cccc(C(C)C)c1C#N.
What is the InChIKey of 2-methoxy-6-propan-2-ylbenzonitrile?
The InChIKey is XSRMKJJDYUILFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(2)9-5-4-6-11(13-3)10(9)7-12/h4-6,8H,1-3H3.
What are the key properties of 2-methoxy-6-propan-2-ylbenzonitrile?
2-methoxy-6-propan-2-ylbenzonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-propan-2-ylbenzonitrile is sourced from PubChem (CID 59589303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).