(4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate

C15H22O3 — CID 68742934

IUPAC(4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate
SMILESCC(C)Oc1ccc(OC(=O)C(C)C(C)C)cc1
InChIInChI=1S/C15H22O3/c1-10(2)12(5)15(16)18-14-8-6-13(7-9-14)17-11(3)4/h6-12H,1-5H3
InChIKeyOXWJPUXLGHDXTM-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.67
Rot. Bonds5

About (4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate

(4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate (PubChem CID 68742934) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate
PubChem CID68742934
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate
SMILESCC(C)Oc1ccc(OC(=O)C(C)C(C)C)cc1
InChIInChI=1S/C15H22O3/c1-10(2)12(5)15(16)18-14-8-6-13(7-9-14)17-11(3)4/h6-12H,1-5H3
InChIKeyOXWJPUXLGHDXTM-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119280468
bis(4-propan-2-yloxyphenyl) hexanedioate
CID 4299383
cyclohexane;ethane;[4-[(4-propan-2-yloxyphenyl)methyl]phenyl] 2-methylpropanoate
CID 159283799
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
[2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate
CID 118108385
2-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444
4-(4-propan-2-yloxybenzoyl)oxybenzoic acid
CID 54854478
[4-[2,3,4,5-tetramethyl-1-(4-propan-2-yloxyphenyl)cyclopentyl]phenyl] 2-methylpropanoate
CID 126492563
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76892558
3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 65264385
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate?
The IUPAC name of (4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate (CID 68742934) is (4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate.
What is the SMILES notation for (4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate?
The canonical SMILES for (4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate is CC(C)Oc1ccc(OC(=O)C(C)C(C)C)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate?
The InChIKey is OXWJPUXLGHDXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10(2)12(5)15(16)18-14-8-6-13(7-9-14)17-11(3)4/h6-12H,1-5H3.
What are the key properties of (4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate?
(4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate has a molecular weight of 250.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl) 2,3-dimethylbutanoate is sourced from PubChem (CID 68742934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).