[4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate

C19H22N2O5 — CID 91508543

IUPAC[4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate
SMILESO=C(Oc1ccc(-n2c(O)c3c(c2O)CCCC3)cc1)N1CCOCC1
InChIInChI=1S/C19H22N2O5/c22-17-15-3-1-2-4-16(15)18(23)21(17)13-5-7-14(8-6-13)26-19(24)20-9-11-25-12-10-20/h5-8,22-23H,1-4,9-12H2
InChIKeyCXUDXMQUYQHVSC-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.60
Rot. Bonds2

About [4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate

[4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate (PubChem CID 91508543) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate
PubChem CID91508543
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate
SMILESO=C(Oc1ccc(-n2c(O)c3c(c2O)CCCC3)cc1)N1CCOCC1
InChIInChI=1S/C19H22N2O5/c22-17-15-3-1-2-4-16(15)18(23)21(17)13-5-7-14(8-6-13)26-19(24)20-9-11-25-12-10-20/h5-8,22-23H,1-4,9-12H2
InChIKeyCXUDXMQUYQHVSC-UHFFFAOYSA-N
XLogP2.60
TPSA84.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(4-Fluorophenoxy)piperidin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54260256
2-[3-[4-(2-Cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 90755399
2-[3-[4-[2-(2,2,3,3-Tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 90769828
2-[3-[4-(2-Cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-5,6-difluoro-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 90901251
2-[3-[4-(5-Fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 90908478
5-Fluoro-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 91028383
6-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-7-fluoro-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 91086019
2-[3-[4-(2-Cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 91123764
2-(3-Fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 91212842
2-(4-Methoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54189018
2-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53906466
2-[2-Hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 90834937

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate?
The IUPAC name of [4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate (CID 91508543) is [4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate?
The canonical SMILES for [4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate is O=C(Oc1ccc(-n2c(O)c3c(c2O)CCCC3)cc1)N1CCOCC1.
What is the InChIKey of [4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate?
The InChIKey is CXUDXMQUYQHVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c22-17-15-3-1-2-4-16(15)18(23)21(17)13-5-7-14(8-6-13)26-19(24)20-9-11-25-12-10-20/h5-8,22-23H,1-4,9-12H2.
What are the key properties of [4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate?
[4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 91508543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).