6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile

C21H25NO — CID 23465055

IUPAC6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile
SMILESCCCC1CCC(COc2ccc3cc(C#N)ccc3c2)CC1
InChIInChI=1S/C21H25NO/c1-2-3-16-4-6-17(7-5-16)15-23-21-11-10-19-12-18(14-22)8-9-20(19)13-21/h8-13,16-17H,2-7,15H2,1H3
InChIKeyDHPLEGZBQKRHOW-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.70
Rot. Bonds5

About 6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile

6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile (PubChem CID 23465055) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile
PubChem CID23465055
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile
SMILESCCCC1CCC(COc2ccc3cc(C#N)ccc3c2)CC1
InChIInChI=1S/C21H25NO/c1-2-3-16-4-6-17(7-5-16)15-23-21-11-10-19-12-18(14-22)8-9-20(19)13-21/h8-13,16-17H,2-7,15H2,1H3
InChIKeyDHPLEGZBQKRHOW-UHFFFAOYSA-N
XLogP5.70
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pentyl-4-[2-[4-[(4-propylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933635
1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
CID 19739250
6-(2-methylpropoxy)naphthalene-2-carbonitrile
CID 121256525
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one
CID 59695761
3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol
CID 65458406
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177
3-[4-[(4-pentylphenoxy)methyl]cyclohexyl]-2-(4-propylcyclohexyl)propanenitrile
CID 18605294
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
CID 173416825
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
3-bromo-6-(cyclopropylmethoxy)phenanthrene
CID 86614878
4-(6-butoxynaphthalen-2-yl)benzonitrile
CID 13450021

Frequently Asked Questions

What is the IUPAC name of 6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile?
The IUPAC name of 6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile (CID 23465055) is 6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile.
What is the SMILES notation for 6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile?
The canonical SMILES for 6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile is CCCC1CCC(COc2ccc3cc(C#N)ccc3c2)CC1.
What is the InChIKey of 6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile?
The InChIKey is DHPLEGZBQKRHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-3-16-4-6-17(7-5-16)15-23-21-11-10-19-12-18(14-22)8-9-20(19)13-21/h8-13,16-17H,2-7,15H2,1H3.
What are the key properties of 6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile?
6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile has a molecular weight of 307.44 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile is sourced from PubChem (CID 23465055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).