[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate

C23H20O5 — CID 18123658

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc3c4c(cccc24)CC3)c(OC)c1
InChIInChI=1S/C23H20O5/c1-26-16-9-11-19(21(12-16)27-2)20(24)13-28-23(25)18-10-8-15-7-6-14-4-3-5-17(18)22(14)15/h3-5,8-12H,6-7,13H2,1-2H3
InChIKeyHHSLZJHJKKWIID-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.00
Rot. Bonds6

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate (PubChem CID 18123658) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
PubChem CID18123658
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc3c4c(cccc24)CC3)c(OC)c1
InChIInChI=1S/C23H20O5/c1-26-16-9-11-19(21(12-16)27-2)20(24)13-28-23(25)18-10-8-15-7-6-14-4-3-5-17(18)22(14)15/h3-5,8-12H,6-7,13H2,1-2H3
InChIKeyHHSLZJHJKKWIID-UHFFFAOYSA-N
XLogP4.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
CID 16612168
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 2604638
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953621
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
CID 2520644
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 2663411
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837451
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605537
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 18077538
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7402164
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502361

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate (CID 18123658) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate is COc1ccc(C(=O)COC(=O)c2ccc3c4c(cccc24)CC3)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate?
The InChIKey is HHSLZJHJKKWIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-26-16-9-11-19(21(12-16)27-2)20(24)13-28-23(25)18-10-8-15-7-6-14-4-3-5-17(18)22(14)15/h3-5,8-12H,6-7,13H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate is sourced from PubChem (CID 18123658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).