(4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol

C19H17NO3 — CID 90732209

IUPAC(4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol
SMILESC[C@]12CC[C@H](O1)c1c2c(O)n(-c2ccc3ccccc3c2)c1O
InChIInChI=1S/C19H17NO3/c1-19-9-8-14(23-19)15-16(19)18(22)20(17(15)21)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,21-22H,8-9H2,1H3/t14-,19+/m0/s1
InChIKeyFMTQLIUJAKHXLT-IFXJQAMLSA-N
MW307.35 g/mol
LogP4.12
Rot. Bonds1

About (4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol

(4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol (PubChem CID 90732209) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol.

Molecular Properties

Compound Name(4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol
PubChem CID90732209
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol
SMILESC[C@]12CC[C@H](O1)c1c2c(O)n(-c2ccc3ccccc3c2)c1O
InChIInChI=1S/C19H17NO3/c1-19-9-8-14(23-19)15-16(19)18(22)20(17(15)21)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,21-22H,8-9H2,1H3/t14-,19+/m0/s1
InChIKeyFMTQLIUJAKHXLT-IFXJQAMLSA-N
XLogP4.12
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol?
The IUPAC name of (4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol (CID 90732209) is (4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol.
What is the SMILES notation for (4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol?
The canonical SMILES for (4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol is C[C@]12CC[C@H](O1)c1c2c(O)n(-c2ccc3ccccc3c2)c1O.
What is the InChIKey of (4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol?
The InChIKey is FMTQLIUJAKHXLT-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H17NO3/c1-19-9-8-14(23-19)15-16(19)18(22)20(17(15)21)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,21-22H,8-9H2,1H3/t14-,19+/m0/s1.
What are the key properties of (4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol?
(4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol has a molecular weight of 307.35 g/mol, XLogP of 4.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R)-7-methyl-2-naphthalen-2-yl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol is sourced from PubChem (CID 90732209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).