[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate

C23H22O7 — CID 23990915

IUPAC[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc2cc(C(=O)COC(=O)c3ccc(OC)c(OC)c3OC)ccc2c1
InChIInChI=1S/C23H22O7/c1-26-17-8-7-14-11-16(6-5-15(14)12-17)19(24)13-30-23(25)18-9-10-20(27-2)22(29-4)21(18)28-3/h5-12H,13H2,1-4H3
InChIKeyDVBWTPIOXRIXCT-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.91
Rot. Bonds8

About [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate

[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate (PubChem CID 23990915) has the molecular formula C23H22O7 and a molecular weight of 410.42 g/mol. Its IUPAC name is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
PubChem CID23990915
Molecular FormulaC23H22O7
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc2cc(C(=O)COC(=O)c3ccc(OC)c(OC)c3OC)ccc2c1
InChIInChI=1S/C23H22O7/c1-26-17-8-7-14-11-16(6-5-15(14)12-17)19(24)13-30-23(25)18-9-10-20(27-2)22(29-4)21(18)28-3/h5-12H,13H2,1-4H3
InChIKeyDVBWTPIOXRIXCT-UHFFFAOYSA-N
XLogP3.91
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523919
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7491072
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
[2-(4-methoxyanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522313
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 23960508
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7433080
(2-naphthalen-2-yl-2-oxoethyl) 3,4,5-trimethoxybenzoate
CID 40612973
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597334
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate
CID 23988356
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2,3-dimethoxybenzoate
CID 2358791
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate (CID 23990915) is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate.
What is the SMILES notation for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The canonical SMILES for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate is COc1ccc2cc(C(=O)COC(=O)c3ccc(OC)c(OC)c3OC)ccc2c1.
What is the InChIKey of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The InChIKey is DVBWTPIOXRIXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O7/c1-26-17-8-7-14-11-16(6-5-15(14)12-17)19(24)13-30-23(25)18-9-10-20(27-2)22(29-4)21(18)28-3/h5-12H,13H2,1-4H3.
What are the key properties of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate has a molecular weight of 410.42 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 23990915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).