(2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate

C20H22O6 — CID 55441877

IUPAC(2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)OC(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C20H22O6/c1-14(2)26-19(21)13-25-20(22)16-9-10-17(18(11-16)23-3)24-12-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3
InChIKeyFACPFLRTEQIKKF-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.38
Rot. Bonds8

About (2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate

(2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate (PubChem CID 55441877) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate
PubChem CID55441877
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name(2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)OC(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C20H22O6/c1-14(2)26-19(21)13-25-20(22)16-9-10-17(18(11-16)23-3)24-12-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3
InChIKeyFACPFLRTEQIKKF-UHFFFAOYSA-N
XLogP3.38
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 55306280
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215
butan-2-yl 3-methoxy-4-phenylmethoxybenzoate
CID 82186247
(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 7196850
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196740
prop-2-ynyl 3-methoxy-4-phenylmethoxybenzoate
CID 91681830
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
2-methylsulfanylethyl 3-methoxy-4-phenylmethoxybenzoate
CID 86977014
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196715
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 40960600
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 42964833
[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196707

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate?
The IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate (CID 55441877) is (2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate.
What is the SMILES notation for (2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate?
The canonical SMILES for (2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate is COc1cc(C(=O)OCC(=O)OC(C)C)ccc1OCc1ccccc1.
What is the InChIKey of (2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate?
The InChIKey is FACPFLRTEQIKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6/c1-14(2)26-19(21)13-25-20(22)16-9-10-17(18(11-16)23-3)24-12-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3.
What are the key properties of (2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate?
(2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate has a molecular weight of 358.39 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 55441877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).