benzyl 4-(2,2-dimethylpropoxy)benzoate

C19H22O3 — CID 22645379

IUPACbenzyl 4-(2,2-dimethylpropoxy)benzoate
SMILESCC(C)(C)COc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H22O3/c1-19(2,3)14-22-17-11-9-16(10-12-17)18(20)21-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3
InChIKeyWVXCZSHEWUVVKS-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.47
Rot. Bonds5

About benzyl 4-(2,2-dimethylpropoxy)benzoate

benzyl 4-(2,2-dimethylpropoxy)benzoate (PubChem CID 22645379) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is benzyl 4-(2,2-dimethylpropoxy)benzoate.

Molecular Properties

Compound Namebenzyl 4-(2,2-dimethylpropoxy)benzoate
PubChem CID22645379
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Namebenzyl 4-(2,2-dimethylpropoxy)benzoate
SMILESCC(C)(C)COc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H22O3/c1-19(2,3)14-22-17-11-9-16(10-12-17)18(20)21-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3
InChIKeyWVXCZSHEWUVVKS-UHFFFAOYSA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
(4-ethoxyphenyl)methyl benzoate
CID 91595481
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
benzyl 4-acetyloxybenzoate
CID 734064
benzyl benzoate
CID 2345
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
benzyl 4-acetylbenzoate
CID 590101
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
4-(2,2-dimethylpropoxy)benzenecarboperoxoic acid
CID 87112604
benzyl 4-trimethylsilyloxybenzoate
CID 528810
benzyl 4-propan-2-yloxybenzoate
CID 70079883
benzyl 4-(3-amino-2-methylpropoxy)benzoate;hydrochloride
CID 175789859

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2,2-dimethylpropoxy)benzoate?
The IUPAC name of benzyl 4-(2,2-dimethylpropoxy)benzoate (CID 22645379) is benzyl 4-(2,2-dimethylpropoxy)benzoate.
What is the SMILES notation for benzyl 4-(2,2-dimethylpropoxy)benzoate?
The canonical SMILES for benzyl 4-(2,2-dimethylpropoxy)benzoate is CC(C)(C)COc1ccc(C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 4-(2,2-dimethylpropoxy)benzoate?
The InChIKey is WVXCZSHEWUVVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-19(2,3)14-22-17-11-9-16(10-12-17)18(20)21-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3.
What are the key properties of benzyl 4-(2,2-dimethylpropoxy)benzoate?
benzyl 4-(2,2-dimethylpropoxy)benzoate has a molecular weight of 298.38 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2,2-dimethylpropoxy)benzoate is sourced from PubChem (CID 22645379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).