2-methylpropyl 3,4-diethoxybenzoate

C15H22O4 — CID 82186382

IUPAC2-methylpropyl 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(C)C)cc1OCC
InChIInChI=1S/C15H22O4/c1-5-17-13-8-7-12(9-14(13)18-6-2)15(16)19-10-11(3)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyHLGRPRDZCALYGC-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.30
Rot. Bonds7

About 2-methylpropyl 3,4-diethoxybenzoate

2-methylpropyl 3,4-diethoxybenzoate (PubChem CID 82186382) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methylpropyl 3,4-diethoxybenzoate.

Molecular Properties

Compound Name2-methylpropyl 3,4-diethoxybenzoate
PubChem CID82186382
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-methylpropyl 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(C)C)cc1OCC
InChIInChI=1S/C15H22O4/c1-5-17-13-8-7-12(9-14(13)18-6-2)15(16)19-10-11(3)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyHLGRPRDZCALYGC-UHFFFAOYSA-N
XLogP3.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535405
ethyl 3,4-diethoxybenzoate
CID 586407
[2-(carbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535390
butan-2-yl 3,4-diethoxybenzoate
CID 82186290
2-methylpropyl 3,5-diethoxybenzoate
CID 139818503
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 7489220
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535397
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 42970974
2-ethylbutyl 3-amino-4-ethoxybenzoate
CID 82930597
2-methylpentyl 3-amino-4-ethoxybenzoate
CID 55055867
bis(3,4-diethoxyphenyl)methanone
CID 135325793
2-(diethylamino)ethyl 3,4-diethoxybenzoate
CID 23423700

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3,4-diethoxybenzoate?
The IUPAC name of 2-methylpropyl 3,4-diethoxybenzoate (CID 82186382) is 2-methylpropyl 3,4-diethoxybenzoate.
What is the SMILES notation for 2-methylpropyl 3,4-diethoxybenzoate?
The canonical SMILES for 2-methylpropyl 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCC(C)C)cc1OCC.
What is the InChIKey of 2-methylpropyl 3,4-diethoxybenzoate?
The InChIKey is HLGRPRDZCALYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-17-13-8-7-12(9-14(13)18-6-2)15(16)19-10-11(3)4/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 2-methylpropyl 3,4-diethoxybenzoate?
2-methylpropyl 3,4-diethoxybenzoate has a molecular weight of 266.34 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3,4-diethoxybenzoate is sourced from PubChem (CID 82186382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).