2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile

C12H13NO2 — CID 10058698

IUPAC2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCOc1ccc2c(c1)CCC(O)(C#N)C2
InChIInChI=1S/C12H13NO2/c1-15-11-3-2-10-7-12(14,8-13)5-4-9(10)6-11/h2-3,6,14H,4-5,7H2,1H3
InChIKeyLPHVCDOFCRGRLA-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.44
Rot. Bonds1

About 2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile

2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 10058698) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID10058698
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCOc1ccc2c(c1)CCC(O)(C#N)C2
InChIInChI=1S/C12H13NO2/c1-15-11-3-2-10-7-12(14,8-13)5-4-9(10)6-11/h2-3,6,14H,4-5,7H2,1H3
InChIKeyLPHVCDOFCRGRLA-UHFFFAOYSA-N
XLogP1.44
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 105461731
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
CID 115511264
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79248307
2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]
CID 143815719
(2,6-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 105479196
2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile
CID 79368874
1-(cyanomethyl)-5-methoxy-2,3-dihydroindene-1-carbonitrile
CID 12938512
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)pentanenitrile
CID 115511263
2-(azepan-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 115511070
6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 43114971
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906
1-(6-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine
CID 22152309

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 10058698) is 2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile is COc1ccc2c(c1)CCC(O)(C#N)C2.
What is the InChIKey of 2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is LPHVCDOFCRGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-11-3-2-10-7-12(14,8-13)5-4-9(10)6-11/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 203.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 10058698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).