(3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate

C15H20O6 — CID 52875979

IUPAC(3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC2(C)COC2)c(OC)c1OC
InChIInChI=1S/C15H20O6/c1-15(7-20-8-15)9-21-14(16)10-5-6-11(17-2)13(19-4)12(10)18-3/h5-6H,7-9H2,1-4H3
InChIKeySAVRCHZMPFHDIL-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.91
Rot. Bonds6

About (3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate

(3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate (PubChem CID 52875979) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate
PubChem CID52875979
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC2(C)COC2)c(OC)c1OC
InChIInChI=1S/C15H20O6/c1-15(7-20-8-15)9-21-14(16)10-5-6-11(17-2)13(19-4)12(10)18-3/h5-6H,7-9H2,1-4H3
InChIKeySAVRCHZMPFHDIL-UHFFFAOYSA-N
XLogP1.91
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-[2-(2,3,4-trimethoxybenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2,3,4-trimethoxybenzoate
CID 139804932
methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2522067
ethane;(3-methyloxetan-3-yl)methyl 2-methylbenzoate
CID 142830162
[2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7758376
methyl 2,3,4-trimethoxybenzenecarboperoxoate
CID 173266032
2-benzoyloxyethyl 2,3,4-trimethoxybenzoate
CID 30194766
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197908
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522249
[2-(cyclooctylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23876696
[2-(benzylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2335043
[2-(4-methoxyanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522313
2-(diethylamino)ethyl 2,3,4-trimethoxybenzoate;hydrochloride
CID 54609530

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate?
The IUPAC name of (3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate (CID 52875979) is (3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate is COc1ccc(C(=O)OCC2(C)COC2)c(OC)c1OC.
What is the InChIKey of (3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate?
The InChIKey is SAVRCHZMPFHDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-15(7-20-8-15)9-21-14(16)10-5-6-11(17-2)13(19-4)12(10)18-3/h5-6H,7-9H2,1-4H3.
What are the key properties of (3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate?
(3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate has a molecular weight of 296.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 52875979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).