[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate

C26H22O4 — CID 7706746

IUPAC[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate
SMILESO=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccc2c(c1)CCCC2
InChIInChI=1S/C26H22O4/c27-22(19-14-13-17-7-1-2-8-18(17)15-19)16-29-26(28)25-20-9-3-5-11-23(20)30-24-12-6-4-10-21(24)25/h3-6,9-15,25H,1-2,7-8,16H2
InChIKeyRURAMCDUPICNDU-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.23
Rot. Bonds4

About [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate (PubChem CID 7706746) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate
PubChem CID7706746
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate
SMILESO=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccc2c(c1)CCCC2
InChIInChI=1S/C26H22O4/c27-22(19-14-13-17-7-1-2-8-18(17)15-19)16-29-26(28)25-20-9-3-5-11-23(20)30-24-12-6-4-10-21(24)25/h3-6,9-15,25H,1-2,7-8,16H2
InChIKeyRURAMCDUPICNDU-UHFFFAOYSA-N
XLogP5.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 42983263
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891418
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate
CID 7518736
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(benzenesulfonamido)propanoate
CID 8574767
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 4677171
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-nitrobenzoate
CID 7768657
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
[2-(4-fluorophenyl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706150
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-(methoxymethyl)benzoate
CID 7587823
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate
CID 7485451
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535682
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CID 7822588

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate?
The IUPAC name of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate (CID 7706746) is [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate.
What is the SMILES notation for [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate?
The canonical SMILES for [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate is O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccc2c(c1)CCCC2.
What is the InChIKey of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate?
The InChIKey is RURAMCDUPICNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4/c27-22(19-14-13-17-7-1-2-8-18(17)15-19)16-29-26(28)25-20-9-3-5-11-23(20)30-24-12-6-4-10-21(24)25/h3-6,9-15,25H,1-2,7-8,16H2.
What are the key properties of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate?
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate has a molecular weight of 398.46 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 9H-xanthene-9-carboxylate is sourced from PubChem (CID 7706746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).