1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile

C19H25NO — CID 79842173

IUPAC1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESCC1(C)CCCCC1(O)C1(C#N)CCCc2ccccc21
InChIInChI=1S/C19H25NO/c1-17(2)11-5-6-13-19(17,21)18(14-20)12-7-9-15-8-3-4-10-16(15)18/h3-4,8,10,21H,5-7,9,11-13H2,1-2H3
InChIKeyOLCNFJFODCKDGO-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.12
Rot. Bonds1

About 1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile

1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 79842173) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID79842173
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESCC1(C)CCCCC1(O)C1(C#N)CCCc2ccccc21
InChIInChI=1S/C19H25NO/c1-17(2)11-5-6-13-19(17,21)18(14-20)12-7-9-15-8-3-4-10-16(15)18/h3-4,8,10,21H,5-7,9,11-13H2,1-2H3
InChIKeyOLCNFJFODCKDGO-UHFFFAOYSA-N
XLogP4.12
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79130898
1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile
CID 79129399
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
5-ethenyl-5-hydroxy-6-methyl-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile
CID 11085522
1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 79130011
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
1-(1-hydroxy-3-methoxy-3-methylbutyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 106676573
5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
CID 24834898
1-(1-hydroxy-3-methoxy-2-methylpropyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 116503426
1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile
CID 79123347
1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol
CID 12840344
(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 11311149

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 79842173) is 1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile is CC1(C)CCCCC1(O)C1(C#N)CCCc2ccccc21.
What is the InChIKey of 1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is OLCNFJFODCKDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-17(2)11-5-6-13-19(17,21)18(14-20)12-7-9-15-8-3-4-10-16(15)18/h3-4,8,10,21H,5-7,9,11-13H2,1-2H3.
What are the key properties of 1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 283.41 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 79842173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).