1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile

C16H19NO — CID 115420917

IUPAC1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile
SMILESCC1CCC(O)(C2(C#N)CCC2)c2ccccc21
InChIInChI=1S/C16H19NO/c1-12-7-10-16(18,15(11-17)8-4-9-15)14-6-3-2-5-13(12)14/h2-3,5-6,12,18H,4,7-10H2,1H3
InChIKeyFGCFLMJXGREYBW-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.47
Rot. Bonds1

About 1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile

1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile (PubChem CID 115420917) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile
PubChem CID115420917
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile
SMILESCC1CCC(O)(C2(C#N)CCC2)c2ccccc21
InChIInChI=1S/C16H19NO/c1-12-7-10-16(18,15(11-17)8-4-9-15)14-6-3-2-5-13(12)14/h2-3,5-6,12,18H,4,7-10H2,1H3
InChIKeyFGCFLMJXGREYBW-UHFFFAOYSA-N
XLogP3.47
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 79130011
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115420935
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile
CID 79115229
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622
3-ethyl-1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 79129710
1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 113305950
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419566
1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile
CID 130570305
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile
CID 83069284

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile (CID 115420917) is 1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile is CC1CCC(O)(C2(C#N)CCC2)c2ccccc21.
What is the InChIKey of 1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile?
The InChIKey is FGCFLMJXGREYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-7-10-16(18,15(11-17)8-4-9-15)14-6-3-2-5-13(12)14/h2-3,5-6,12,18H,4,7-10H2,1H3.
What are the key properties of 1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile?
1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile has a molecular weight of 241.33 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 115420917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).