[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

C22H20O6 — CID 2096449

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCOc1ccc(C(=O)COC(=O)COc2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C22H20O6/c1-25-17-9-10-19(21(12-17)26-2)20(23)13-28-22(24)14-27-18-8-7-15-5-3-4-6-16(15)11-18/h3-12H,13-14H2,1-2H3
InChIKeyZFZGKGRXPYDZPP-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.66
Rot. Bonds8

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 2096449) has the molecular formula C22H20O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
PubChem CID2096449
Molecular FormulaC22H20O6
Molecular Weight380.40 g/mol
Exact Mass380.13
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCOc1ccc(C(=O)COC(=O)COc2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C22H20O6/c1-25-17-9-10-19(21(12-17)26-2)20(23)13-28-22(24)14-27-18-8-7-15-5-3-4-6-16(15)11-18/h3-12H,13-14H2,1-2H3
InChIKeyZFZGKGRXPYDZPP-UHFFFAOYSA-N
XLogP3.66
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8914767
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694899
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842228
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 2604638
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 23988457
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701600
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4008524

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (CID 2096449) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is COc1ccc(C(=O)COC(=O)COc2ccc3ccccc3c2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is ZFZGKGRXPYDZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O6/c1-25-17-9-10-19(21(12-17)26-2)20(23)13-28-22(24)14-27-18-8-7-15-5-3-4-6-16(15)11-18/h3-12H,13-14H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 380.40 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 2096449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).