4-methyl-3-propan-2-yloxybenzonitrile

C11H13NO — CID 18424073

IUPAC4-methyl-3-propan-2-yloxybenzonitrile
SMILESCc1ccc(C#N)cc1OC(C)C
InChIInChI=1S/C11H13NO/c1-8(2)13-11-6-10(7-12)5-4-9(11)3/h4-6,8H,1-3H3
InChIKeyKKJILDCGCVHXMF-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.65
Rot. Bonds2

About 4-methyl-3-propan-2-yloxybenzonitrile

4-methyl-3-propan-2-yloxybenzonitrile (PubChem CID 18424073) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name4-methyl-3-propan-2-yloxybenzonitrile
PubChem CID18424073
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-methyl-3-propan-2-yloxybenzonitrile
SMILESCc1ccc(C#N)cc1OC(C)C
InChIInChI=1S/C11H13NO/c1-8(2)13-11-6-10(7-12)5-4-9(11)3/h4-6,8H,1-3H3
InChIKeyKKJILDCGCVHXMF-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile
CID 107658257
N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide
CID 107663137
3-aminooxy-4-methylbenzonitrile
CID 130500377
3-amino-4-propan-2-yloxybenzonitrile
CID 43518279
CID 59749252
CID 59749252
3-(2,2-difluoroethoxy)-4-methylbenzonitrile
CID 104853689
4-methyl-3-[2-(propan-2-ylamino)ethoxy]benzonitrile
CID 107658267
4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile
CID 69433207
3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxy-4-methylbenzonitrile
CID 107659292
3-(4-amino-3-propan-2-yloxyanilino)-4-methylbenzonitrile
CID 83005086
4-methyl-3-(methylsulfanylmethoxy)benzonitrile
CID 131020707
4-methyl-3-prop-2-ynoxybenzonitrile
CID 104841829

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yloxybenzonitrile?
The IUPAC name of 4-methyl-3-propan-2-yloxybenzonitrile (CID 18424073) is 4-methyl-3-propan-2-yloxybenzonitrile.
What is the SMILES notation for 4-methyl-3-propan-2-yloxybenzonitrile?
The canonical SMILES for 4-methyl-3-propan-2-yloxybenzonitrile is Cc1ccc(C#N)cc1OC(C)C.
What is the InChIKey of 4-methyl-3-propan-2-yloxybenzonitrile?
The InChIKey is KKJILDCGCVHXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(2)13-11-6-10(7-12)5-4-9(11)3/h4-6,8H,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yloxybenzonitrile?
4-methyl-3-propan-2-yloxybenzonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yloxybenzonitrile is sourced from PubChem (CID 18424073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).