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

C15H17NO3 — CID 79368972

IUPAC3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile
SMILESCOc1ccc2c(c1)C(O)(C1(C#N)CCOC1)CC2
InChIInChI=1S/C15H17NO3/c1-18-12-3-2-11-4-5-15(17,13(11)8-12)14(9-16)6-7-19-10-14/h2-3,8,17H,4-7,10H2,1H3
InChIKeyNEBJYCGOQJCVLQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.76
Rot. Bonds2

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

3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile (PubChem CID 79368972) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile
PubChem CID79368972
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile
SMILESCOc1ccc2c(c1)C(O)(C1(C#N)CCOC1)CC2
InChIInChI=1S/C15H17NO3/c1-18-12-3-2-11-4-5-15(17,13(11)8-12)14(9-16)6-7-19-10-14/h2-3,8,17H,4-7,10H2,1H3
InChIKeyNEBJYCGOQJCVLQ-UHFFFAOYSA-N
XLogP1.76
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-6-methoxy-2,3-dihydroinden-1-yl)-2-methylpropanenitrile
CID 79368874
2-hydroxy-6-methoxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10058698
3-(2,4-dimethoxyphenyl)oxolan-3-ol
CID 63331455
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
1-(2-chloroanilino)-6-methoxy-2,3-dihydroindene-1-carbonitrile
CID 79370255
4-(2-fluoro-5-methoxyphenyl)oxan-4-ol
CID 171367710
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
6-methoxy-1-pyrrolidin-2-yl-2,3-dihydroinden-1-ol
CID 79375065
1-(cyanomethyl)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 12629985

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile?
The IUPAC name of 3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile (CID 79368972) is 3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile?
The canonical SMILES for 3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile is COc1ccc2c(c1)C(O)(C1(C#N)CCOC1)CC2.
What is the InChIKey of 3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile?
The InChIKey is NEBJYCGOQJCVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-12-3-2-11-4-5-15(17,13(11)8-12)14(9-16)6-7-19-10-14/h2-3,8,17H,4-7,10H2,1H3.
What are the key properties of 3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile?
3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile has a molecular weight of 259.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-6-methoxy-2,3-dihydroinden-1-yl)oxolane-3-carbonitrile is sourced from PubChem (CID 79368972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).