1-methoxypropan-2-yl 4-tert-butylbenzoate

C15H22O3 — CID 90150933

IUPAC1-methoxypropan-2-yl 4-tert-butylbenzoate
SMILESCOCC(C)OC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22O3/c1-11(10-17-5)18-14(16)12-6-8-13(9-7-12)15(2,3)4/h6-9,11H,10H2,1-5H3
InChIKeyBJRMPDQKXHJKKR-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.18
Rot. Bonds4

About 1-methoxypropan-2-yl 4-tert-butylbenzoate

1-methoxypropan-2-yl 4-tert-butylbenzoate (PubChem CID 90150933) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 4-tert-butylbenzoate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 4-tert-butylbenzoate
PubChem CID90150933
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-methoxypropan-2-yl 4-tert-butylbenzoate
SMILESCOCC(C)OC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22O3/c1-11(10-17-5)18-14(16)12-6-8-13(9-7-12)15(2,3)4/h6-9,11H,10H2,1-5H3
InChIKeyBJRMPDQKXHJKKR-UHFFFAOYSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate
CID 23036606
2,3-bis[(4-tert-butylbenzoyl)oxy]propyl 4-tert-butylbenzoate
CID 21302043
2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one
CID 116594171
2,3,4,5,6-pentakis[(4-tert-butylbenzoyl)oxy]hexyl 4-tert-butylbenzoate
CID 58785846
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 113363691
1-methoxypropan-2-yl 4-(4-hexoxyphenyl)benzoate
CID 19742305
2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate
CID 90778073
1-methoxypropan-2-yl 3-iodobenzoate
CID 71145343
[4-(4-tert-butylbenzoyl)oxy-3-methylhexan-2-yl] 4-tert-butylbenzoate
CID 121293702
1-methoxypropan-2-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
CID 65374161
[(2R)-1-methoxypropan-2-yl] 3-cyanobenzoate
CID 95931923

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 4-tert-butylbenzoate?
The IUPAC name of 1-methoxypropan-2-yl 4-tert-butylbenzoate (CID 90150933) is 1-methoxypropan-2-yl 4-tert-butylbenzoate.
What is the SMILES notation for 1-methoxypropan-2-yl 4-tert-butylbenzoate?
The canonical SMILES for 1-methoxypropan-2-yl 4-tert-butylbenzoate is COCC(C)OC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-methoxypropan-2-yl 4-tert-butylbenzoate?
The InChIKey is BJRMPDQKXHJKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(10-17-5)18-14(16)12-6-8-13(9-7-12)15(2,3)4/h6-9,11H,10H2,1-5H3.
What are the key properties of 1-methoxypropan-2-yl 4-tert-butylbenzoate?
1-methoxypropan-2-yl 4-tert-butylbenzoate has a molecular weight of 250.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 4-tert-butylbenzoate is sourced from PubChem (CID 90150933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).