4-(3-propan-2-ylcyclobutyl)oxybenzonitrile

C14H17NO — CID 118071296

IUPAC4-(3-propan-2-ylcyclobutyl)oxybenzonitrile
SMILESCC(C)C1CC(Oc2ccc(C#N)cc2)C1
InChIInChI=1S/C14H17NO/c1-10(2)12-7-14(8-12)16-13-5-3-11(9-15)4-6-13/h3-6,10,12,14H,7-8H2,1-2H3
InChIKeyWNEIAHFZQGRWHJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.37
Rot. Bonds3

About 4-(3-propan-2-ylcyclobutyl)oxybenzonitrile

4-(3-propan-2-ylcyclobutyl)oxybenzonitrile (PubChem CID 118071296) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(3-propan-2-ylcyclobutyl)oxybenzonitrile.

Molecular Properties

Compound Name4-(3-propan-2-ylcyclobutyl)oxybenzonitrile
PubChem CID118071296
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(3-propan-2-ylcyclobutyl)oxybenzonitrile
SMILESCC(C)C1CC(Oc2ccc(C#N)cc2)C1
InChIInChI=1S/C14H17NO/c1-10(2)12-7-14(8-12)16-13-5-3-11(9-15)4-6-13/h3-6,10,12,14H,7-8H2,1-2H3
InChIKeyWNEIAHFZQGRWHJ-UHFFFAOYSA-N
XLogP3.37
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methoxycyclobutyl)oxybenzonitrile
CID 169088074
ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene)
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4-(oxetan-3-yloxy)benzonitrile
CID 56604390
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
4-(1,1-dioxothiolan-3-yl)oxybenzonitrile
CID 61058416
3-chloro-4-[(4-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107807559
4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile
CID 43292357
3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride
CID 154880570
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
4-methoxy(13C)benzonitrile
CID 175991125
4-[4-(3-oxocyclopentyl)oxyphenyl]benzonitrile
CID 79639113
4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile
CID 157032281

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylcyclobutyl)oxybenzonitrile?
The IUPAC name of 4-(3-propan-2-ylcyclobutyl)oxybenzonitrile (CID 118071296) is 4-(3-propan-2-ylcyclobutyl)oxybenzonitrile.
What is the SMILES notation for 4-(3-propan-2-ylcyclobutyl)oxybenzonitrile?
The canonical SMILES for 4-(3-propan-2-ylcyclobutyl)oxybenzonitrile is CC(C)C1CC(Oc2ccc(C#N)cc2)C1.
What is the InChIKey of 4-(3-propan-2-ylcyclobutyl)oxybenzonitrile?
The InChIKey is WNEIAHFZQGRWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)12-7-14(8-12)16-13-5-3-11(9-15)4-6-13/h3-6,10,12,14H,7-8H2,1-2H3.
What are the key properties of 4-(3-propan-2-ylcyclobutyl)oxybenzonitrile?
4-(3-propan-2-ylcyclobutyl)oxybenzonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylcyclobutyl)oxybenzonitrile is sourced from PubChem (CID 118071296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).