4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile

C16H15NO — CID 106201503

IUPAC4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(OCCC2CC2)c2ccccc12
InChIInChI=1S/C16H15NO/c17-11-13-7-8-16(18-10-9-12-5-6-12)15-4-2-1-3-14(13)15/h1-4,7-8,12H,5-6,9-10H2
InChIKeySOOWQJRYIFTHJT-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.89
Rot. Bonds4

About 4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile

4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile (PubChem CID 106201503) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile
PubChem CID106201503
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(OCCC2CC2)c2ccccc12
InChIInChI=1S/C16H15NO/c17-11-13-7-8-16(18-10-9-12-5-6-12)15-4-2-1-3-14(13)15/h1-4,7-8,12H,5-6,9-10H2
InChIKeySOOWQJRYIFTHJT-UHFFFAOYSA-N
XLogP3.89
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(2-cyclopropylethoxy)-3-fluorobenzonitrile
CID 106201470
4-(3-methylbut-3-enoxy)naphthalene-1-carbonitrile
CID 114088515
4-phenylmethoxynaphthalene-1-carbonitrile
CID 23318695
2-(2-cyclobutylethoxy)-5-fluorobenzonitrile
CID 106201555
1-(2-cyclohexylethoxy)-4-methylnaphthalene
CID 123891413
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine
CID 56830393
4-(trifluoromethoxy)naphthalene-1-carbonitrile
CID 118819268
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
CID 56830392
2-(2-cyclopropylethoxy)-6-methylsulfanylbenzonitrile
CID 106201482
2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde
CID 54794930
4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile
CID 106011557
4-(2-naphthalen-1-yloxyethyl)piperidine;hydrochloride
CID 75539369

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile?
The IUPAC name of 4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile (CID 106201503) is 4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile is N#Cc1ccc(OCCC2CC2)c2ccccc12.
What is the InChIKey of 4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile?
The InChIKey is SOOWQJRYIFTHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c17-11-13-7-8-16(18-10-9-12-5-6-12)15-4-2-1-3-14(13)15/h1-4,7-8,12H,5-6,9-10H2.
What are the key properties of 4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile?
4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile has a molecular weight of 237.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile is sourced from PubChem (CID 106201503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).