2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol

C18H19NO2 — CID 138056206

IUPAC2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol
SMILESOc1ccc2c(c1)CN(Cc1cccc3c1CCOC3)C2
InChIInChI=1S/C18H19NO2/c20-17-5-4-13-9-19(11-16(13)8-17)10-14-2-1-3-15-12-21-7-6-18(14)15/h1-5,8,20H,6-7,9-12H2
InChIKeyKQZKJSVGDFWHLO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.98
Rot. Bonds2

About 2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol

2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol (PubChem CID 138056206) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol
PubChem CID138056206
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol
SMILESOc1ccc2c(c1)CN(Cc1cccc3c1CCOC3)C2
InChIInChI=1S/C18H19NO2/c20-17-5-4-13-9-19(11-16(13)8-17)10-14-2-1-3-15-12-21-7-6-18(14)15/h1-5,8,20H,6-7,9-12H2
InChIKeyKQZKJSVGDFWHLO-UHFFFAOYSA-N
XLogP2.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol (CID 138056206) is 2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol is Oc1ccc2c(c1)CN(Cc1cccc3c1CCOC3)C2.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol?
The InChIKey is KQZKJSVGDFWHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-17-5-4-13-9-19(11-16(13)8-17)10-14-2-1-3-15-12-21-7-6-18(14)15/h1-5,8,20H,6-7,9-12H2.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol?
2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol has a molecular weight of 281.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-5-ylmethyl)-1,3-dihydroisoindol-5-ol is sourced from PubChem (CID 138056206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).