butan-2-yl 3,4-diethoxybenzoate

C15H22O4 — CID 82186290

IUPACbutan-2-yl 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OC(C)CC)cc1OCC
InChIInChI=1S/C15H22O4/c1-5-11(4)19-15(16)12-8-9-13(17-6-2)14(10-12)18-7-3/h8-11H,5-7H2,1-4H3
InChIKeyPXZNDHTZRGSEBV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.44
Rot. Bonds7

About butan-2-yl 3,4-diethoxybenzoate

butan-2-yl 3,4-diethoxybenzoate (PubChem CID 82186290) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is butan-2-yl 3,4-diethoxybenzoate.

Molecular Properties

Compound Namebutan-2-yl 3,4-diethoxybenzoate
PubChem CID82186290
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namebutan-2-yl 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OC(C)CC)cc1OCC
InChIInChI=1S/C15H22O4/c1-5-11(4)19-15(16)12-8-9-13(17-6-2)14(10-12)18-7-3/h8-11H,5-7H2,1-4H3
InChIKeyPXZNDHTZRGSEBV-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate
CID 82186234
ethyl 3,4-diethoxybenzoate
CID 586407
2-methylpropyl 3,4-diethoxybenzoate
CID 82186382
pentan-2-yl 3-amino-4-ethoxybenzoate
CID 102983098
[(2S)-1-amino-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 2667445
butan-2-yl 3-methoxy-4-phenylmethoxybenzoate
CID 82186247
[(2S)-1-amino-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate
CID 2540833
4-butan-2-yloxy-3-ethoxybenzamide
CID 6457722
bis(3,4-diethoxyphenyl)methanone
CID 135325793
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
butan-2-yl 3-(5-butan-2-yloxycarbonyl-2-hydroxyphenyl)sulfanyl-4-hydroxybenzoate
CID 22160971
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 7558734

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 3,4-diethoxybenzoate?
The IUPAC name of butan-2-yl 3,4-diethoxybenzoate (CID 82186290) is butan-2-yl 3,4-diethoxybenzoate.
What is the SMILES notation for butan-2-yl 3,4-diethoxybenzoate?
The canonical SMILES for butan-2-yl 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OC(C)CC)cc1OCC.
What is the InChIKey of butan-2-yl 3,4-diethoxybenzoate?
The InChIKey is PXZNDHTZRGSEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-11(4)19-15(16)12-8-9-13(17-6-2)14(10-12)18-7-3/h8-11H,5-7H2,1-4H3.
What are the key properties of butan-2-yl 3,4-diethoxybenzoate?
butan-2-yl 3,4-diethoxybenzoate has a molecular weight of 266.34 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 3,4-diethoxybenzoate is sourced from PubChem (CID 82186290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).