2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate

C19H22O3 — CID 82186357

IUPAC2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate
SMILESCc1ccc(COc2ccccc2C(=O)OCC(C)C)cc1
InChIInChI=1S/C19H22O3/c1-14(2)12-22-19(20)17-6-4-5-7-18(17)21-13-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3
InChIKeyUKYJBQCELLFAAR-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.39
Rot. Bonds6

About 2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate

2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate (PubChem CID 82186357) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate.

Molecular Properties

Compound Name2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate
PubChem CID82186357
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate
SMILESCc1ccc(COc2ccccc2C(=O)OCC(C)C)cc1
InChIInChI=1S/C19H22O3/c1-14(2)12-22-19(20)17-6-4-5-7-18(17)21-13-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3
InChIKeyUKYJBQCELLFAAR-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
2-[(4-methylphenyl)methoxy]benzoyl chloride
CID 46779704
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
(4-methylphenyl) 2-[(4-chlorophenyl)methoxy]benzoate
CID 7901065
2-methylpropyl 2-(2-methylpropanoyl)benzoate
CID 142743653
[(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate
CID 57196601
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
2-methylpropyl 2-methoxy-4-methylbenzoate
CID 141306404
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
butan-2-yl 2-phenylmethoxybenzoate
CID 82186245
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate?
The IUPAC name of 2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate (CID 82186357) is 2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate.
What is the SMILES notation for 2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate?
The canonical SMILES for 2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate is Cc1ccc(COc2ccccc2C(=O)OCC(C)C)cc1.
What is the InChIKey of 2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate?
The InChIKey is UKYJBQCELLFAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-14(2)12-22-19(20)17-6-4-5-7-18(17)21-13-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate?
2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate has a molecular weight of 298.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(4-methylphenyl)methoxy]benzoate is sourced from PubChem (CID 82186357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).