2-ethyl-3-methoxybenzonitrile

C10H11NO — CID 91882343

IUPAC2-ethyl-3-methoxybenzonitrile
SMILESCCc1c(C#N)cccc1OC
InChIInChI=1S/C10H11NO/c1-3-9-8(7-11)5-4-6-10(9)12-2/h4-6H,3H2,1-2H3
InChIKeyHBQQAPNWRRYIKL-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.13
Rot. Bonds2

About 2-ethyl-3-methoxybenzonitrile

2-ethyl-3-methoxybenzonitrile (PubChem CID 91882343) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-ethyl-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-ethyl-3-methoxybenzonitrile
PubChem CID91882343
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-ethyl-3-methoxybenzonitrile
SMILESCCc1c(C#N)cccc1OC
InChIInChI=1S/C10H11NO/c1-3-9-8(7-11)5-4-6-10(9)12-2/h4-6H,3H2,1-2H3
InChIKeyHBQQAPNWRRYIKL-UHFFFAOYSA-N
XLogP2.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-methoxy-5-methylbenzonitrile
CID 121227165
1-ethoxy-2-ethyl-3-methoxybenzene
CID 155116289
3-ethoxy-2-sulfanylbenzonitrile
CID 91874372
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
6,7-dimethoxynaphthalene-1-carbonitrile
CID 67115291
2-formyl-3-methoxybenzonitrile
CID 122401577
1-N,3-N-bis(3-cyano-2-ethylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155439
3-cyano-4-ethyl-5-methoxybenzoic acid
CID 131530271
3-acetyl-2-ethylbenzonitrile
CID 91208313
2-fluoro-3-[[(2-methoxyphenyl)methylamino]methyl]benzonitrile
CID 107114339
2-(2-ethoxyethylamino)-3-methoxybenzonitrile
CID 107467427
4-acetyl-2-ethyl-3-methoxybenzonitrile
CID 131616329

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxybenzonitrile?
The IUPAC name of 2-ethyl-3-methoxybenzonitrile (CID 91882343) is 2-ethyl-3-methoxybenzonitrile.
What is the SMILES notation for 2-ethyl-3-methoxybenzonitrile?
The canonical SMILES for 2-ethyl-3-methoxybenzonitrile is CCc1c(C#N)cccc1OC.
What is the InChIKey of 2-ethyl-3-methoxybenzonitrile?
The InChIKey is HBQQAPNWRRYIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-9-8(7-11)5-4-6-10(9)12-2/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-methoxybenzonitrile?
2-ethyl-3-methoxybenzonitrile has a molecular weight of 161.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxybenzonitrile is sourced from PubChem (CID 91882343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).