propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate

C15H22O4 — CID 82186234

IUPACpropan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate
SMILESCCOc1cc(C(=O)OC(C)C)ccc1OC(C)C
InChIInChI=1S/C15H22O4/c1-6-17-14-9-12(15(16)19-11(4)5)7-8-13(14)18-10(2)3/h7-11H,6H2,1-5H3
InChIKeyBHCVAFWWMKYHDL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.44
Rot. Bonds6

About propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate

propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate (PubChem CID 82186234) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate
PubChem CID82186234
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namepropan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate
SMILESCCOc1cc(C(=O)OC(C)C)ccc1OC(C)C
InChIInChI=1S/C15H22O4/c1-6-17-14-9-12(15(16)19-11(4)5)7-8-13(14)18-10(2)3/h7-11H,6H2,1-5H3
InChIKeyBHCVAFWWMKYHDL-UHFFFAOYSA-N
XLogP3.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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

butan-2-yl 3,4-diethoxybenzoate
CID 82186290
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
2-methylpropyl 3,4-diethoxybenzoate
CID 82186382
ethyl 3,4-diethoxybenzoate
CID 586407
1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one
CID 82160972
[(2S)-1-amino-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 2667445
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 7558734
[(2S)-1-amino-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate
CID 2540833
2-ethoxyethyl 3-methoxy-4-propan-2-yloxybenzoate
CID 78788742
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
(2-ethoxy-4-formylphenyl) 3-bromo-4-propan-2-yloxybenzoate
CID 23012997
(E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 82185610

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate?
The IUPAC name of propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate (CID 82186234) is propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate.
What is the SMILES notation for propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate?
The canonical SMILES for propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate is CCOc1cc(C(=O)OC(C)C)ccc1OC(C)C.
What is the InChIKey of propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate?
The InChIKey is BHCVAFWWMKYHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-6-17-14-9-12(15(16)19-11(4)5)7-8-13(14)18-10(2)3/h7-11H,6H2,1-5H3.
What are the key properties of propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate?
propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate has a molecular weight of 266.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate is sourced from PubChem (CID 82186234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).