propan-2-yl 3,4-dipropoxybenzoate

C16H24O4 — CID 82550237

IUPACpropan-2-yl 3,4-dipropoxybenzoate
SMILESCCCOc1ccc(C(=O)OC(C)C)cc1OCCC
InChIInChI=1S/C16H24O4/c1-5-9-18-14-8-7-13(16(17)20-12(3)4)11-15(14)19-10-6-2/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyLZZHVFLVZGAHEY-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.83
Rot. Bonds8

About propan-2-yl 3,4-dipropoxybenzoate

propan-2-yl 3,4-dipropoxybenzoate (PubChem CID 82550237) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is propan-2-yl 3,4-dipropoxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 3,4-dipropoxybenzoate
PubChem CID82550237
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Namepropan-2-yl 3,4-dipropoxybenzoate
SMILESCCCOc1ccc(C(=O)OC(C)C)cc1OCCC
InChIInChI=1S/C16H24O4/c1-5-9-18-14-8-7-13(16(17)20-12(3)4)11-15(14)19-10-6-2/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyLZZHVFLVZGAHEY-UHFFFAOYSA-N
XLogP3.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 2667445
propan-2-yl 4-decoxy-3-methoxybenzoate
CID 170945925
propan-2-yl 3-methoxy-4-octadecoxybenzoate
CID 170945921
[(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate
CID 2600269
propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate
CID 82186234
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 2667441
propan-2-yl 3-propoxybenzoate
CID 60979538
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 8740355
2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one
CID 83144881
[(2S)-1-amino-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate
CID 2540833
3-amino-1-(3,4-dipropoxyphenyl)butan-1-one
CID 81462222
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3,4-dipropoxybenzoate?
The IUPAC name of propan-2-yl 3,4-dipropoxybenzoate (CID 82550237) is propan-2-yl 3,4-dipropoxybenzoate.
What is the SMILES notation for propan-2-yl 3,4-dipropoxybenzoate?
The canonical SMILES for propan-2-yl 3,4-dipropoxybenzoate is CCCOc1ccc(C(=O)OC(C)C)cc1OCCC.
What is the InChIKey of propan-2-yl 3,4-dipropoxybenzoate?
The InChIKey is LZZHVFLVZGAHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-5-9-18-14-8-7-13(16(17)20-12(3)4)11-15(14)19-10-6-2/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of propan-2-yl 3,4-dipropoxybenzoate?
propan-2-yl 3,4-dipropoxybenzoate has a molecular weight of 280.36 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3,4-dipropoxybenzoate is sourced from PubChem (CID 82550237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).