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

C13H15NO2 — CID 11769906

IUPAC2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
SMILESCOc1ccc2c(c1)C(O)(CC#N)CCC2
InChIInChI=1S/C13H15NO2/c1-16-11-5-4-10-3-2-6-13(15,7-8-14)12(10)9-11/h4-5,9,15H,2-3,6-7H2,1H3
InChIKeyWEYNDQBNPRNRPE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.13
Rot. Bonds2

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

2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile (PubChem CID 11769906) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
PubChem CID11769906
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
SMILESCOc1ccc2c(c1)C(O)(CC#N)CCC2
InChIInChI=1S/C13H15NO2/c1-16-11-5-4-10-3-2-6-13(15,7-8-14)12(10)9-11/h4-5,9,15H,2-3,6-7H2,1H3
InChIKeyWEYNDQBNPRNRPE-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyanomethyl)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 12629985
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79248307
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
CID 115511264
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651
(1S)-1-[[[(2S,6S)-2,6-dimethyloxan-4-yl]amino]methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 97336688
(1S)-1-[[[(2S,6R)-2,6-dimethyloxan-4-yl]amino]methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 97336687
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile?
The IUPAC name of 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile (CID 11769906) is 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile.
What is the SMILES notation for 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile?
The canonical SMILES for 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile is COc1ccc2c(c1)C(O)(CC#N)CCC2.
What is the InChIKey of 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile?
The InChIKey is WEYNDQBNPRNRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-11-5-4-10-3-2-6-13(15,7-8-14)12(10)9-11/h4-5,9,15H,2-3,6-7H2,1H3.
What are the key properties of 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile?
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile has a molecular weight of 217.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile is sourced from PubChem (CID 11769906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).