2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile

C13H15NO2 — CID 115511264

IUPAC2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
SMILESCOc1ccc2c(c1)CC(O)(CC#N)CC2
InChIInChI=1S/C13H15NO2/c1-16-12-3-2-10-4-5-13(15,6-7-14)9-11(10)8-12/h2-3,8,15H,4-6,9H2,1H3
InChIKeyUITMHGYRLNHLOR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.83
Rot. Bonds2

About 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile

2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile (PubChem CID 115511264) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
PubChem CID115511264
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
SMILESCOc1ccc2c(c1)CC(O)(CC#N)CC2
InChIInChI=1S/C13H15NO2/c1-16-12-3-2-10-4-5-13(15,6-7-14)9-11(10)8-12/h2-3,8,15H,4-6,9H2,1H3
InChIKeyUITMHGYRLNHLOR-UHFFFAOYSA-N
XLogP1.83
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol
CID 113374244
7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510904
2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 105461731
2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115511060
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906
7-methoxy-2-[(2-methoxyethylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511140
1-(cyanomethyl)-5-methoxy-2,3-dihydroindene-1-carbonitrile
CID 12938512
2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510908
2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10058698
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)pentanenitrile
CID 115511263
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile?
The IUPAC name of 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile (CID 115511264) is 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile.
What is the SMILES notation for 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile?
The canonical SMILES for 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile is COc1ccc2c(c1)CC(O)(CC#N)CC2.
What is the InChIKey of 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile?
The InChIKey is UITMHGYRLNHLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-12-3-2-10-4-5-13(15,6-7-14)9-11(10)8-12/h2-3,8,15H,4-6,9H2,1H3.
What are the key properties of 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile?
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile is sourced from PubChem (CID 115511264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).