propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate

C15H22O3 — CID 82552007

IUPACpropan-2-yl 2-ethyl-4-propan-2-yloxybenzoate
SMILESCCc1cc(OC(C)C)ccc1C(=O)OC(C)C
InChIInChI=1S/C15H22O3/c1-6-12-9-13(17-10(2)3)7-8-14(12)15(16)18-11(4)5/h7-11H,6H2,1-5H3
InChIKeyXYSXUHHDQDSRLX-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.60
Rot. Bonds5

About propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate

propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate (PubChem CID 82552007) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-ethyl-4-propan-2-yloxybenzoate
PubChem CID82552007
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namepropan-2-yl 2-ethyl-4-propan-2-yloxybenzoate
SMILESCCc1cc(OC(C)C)ccc1C(=O)OC(C)C
InChIInChI=1S/C15H22O3/c1-6-12-9-13(17-10(2)3)7-8-14(12)15(16)18-11(4)5/h7-11H,6H2,1-5H3
InChIKeyXYSXUHHDQDSRLX-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-ethyl-4-methylbenzoate
CID 143066074
propan-2-yl 4-bromo-2-ethylbenzoate
CID 22568988
4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid
CID 82267401
5-(2-ethyl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82267403
propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate
CID 82553050
(3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone
CID 82267425
(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone
CID 82267421
methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
CID 82552006
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415
ethyl 2-chloro-4-propan-2-yloxybenzoate
CID 82551782
(4-acetyl-3-ethylphenyl) hypofluorite
CID 153392017
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate?
The IUPAC name of propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate (CID 82552007) is propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate.
What is the SMILES notation for propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate?
The canonical SMILES for propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate is CCc1cc(OC(C)C)ccc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate?
The InChIKey is XYSXUHHDQDSRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-12-9-13(17-10(2)3)7-8-14(12)15(16)18-11(4)5/h7-11H,6H2,1-5H3.
What are the key properties of propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate?
propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate has a molecular weight of 250.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate is sourced from PubChem (CID 82552007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).