2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile

C14H17NO2 — CID 79368874

IUPAC2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile
SMILESCOc1ccc2c(c1)C(O)(C(C)(C)C#N)CC2
InChIInChI=1S/C14H17NO2/c1-13(2,9-15)14(16)7-6-10-4-5-11(17-3)8-12(10)14/h4-5,8,16H,6-7H2,1-3H3
InChIKeyQRXFHMLWZBWWOI-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.38
Rot. Bonds2

About 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile

2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile (PubChem CID 79368874) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile
PubChem CID79368874
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile
SMILESCOc1ccc2c(c1)C(O)(C(C)(C)C#N)CC2
InChIInChI=1S/C14H17NO2/c1-13(2,9-15)14(16)7-6-10-4-5-11(17-3)8-12(10)14/h4-5,8,16H,6-7H2,1-3H3
InChIKeyQRXFHMLWZBWWOI-UHFFFAOYSA-N
XLogP2.38
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79248307
1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374777
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906
2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10058698
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile
CID 79368972
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
CID 115511264
6-methoxy-1-(4-methylphenyl)-2,3-dihydroinden-1-ol
CID 79373998
1-(cyanomethyl)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 12629985

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile (CID 79368874) is 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile is COc1ccc2c(c1)C(O)(C(C)(C)C#N)CC2.
What is the InChIKey of 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile?
The InChIKey is QRXFHMLWZBWWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-13(2,9-15)14(16)7-6-10-4-5-11(17-3)8-12(10)14/h4-5,8,16H,6-7H2,1-3H3.
What are the key properties of 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile?
2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile has a molecular weight of 231.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile is sourced from PubChem (CID 79368874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).