benzyl 4-propan-2-yloxybenzoate

C17H18O3 — CID 70079883

IUPACbenzyl 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-13(2)20-16-10-8-15(9-11-16)17(18)19-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyODBFCNDBXNZPCJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.83
Rot. Bonds5

About benzyl 4-propan-2-yloxybenzoate

benzyl 4-propan-2-yloxybenzoate (PubChem CID 70079883) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is benzyl 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Namebenzyl 4-propan-2-yloxybenzoate
PubChem CID70079883
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namebenzyl 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-13(2)20-16-10-8-15(9-11-16)17(18)19-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyODBFCNDBXNZPCJ-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-acetyloxybenzoate
CID 734064
benzyl benzoate
CID 2345
2-phenoxyethyl 4-propan-2-yloxybenzoate
CID 23011936
benzyl 4-acetylbenzoate
CID 590101
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl 4-trimethylsilyloxybenzoate
CID 528810
benzyl 4-(3-amino-2-methylpropoxy)benzoate;hydrochloride
CID 175789859
benzyl (2S)-3-hydroxy-2-[(4-propan-2-yloxybenzoyl)amino]propanoate
CID 46201346
benzyl 4-[di(propan-2-yl)carbamoyl]benzoate
CID 870695
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
benzyl 4-[1,4-dioxo-3-(4-phenylmethoxycarbonylphenoxy)naphthalen-2-yl]oxybenzoate
CID 58676176

Frequently Asked Questions

What is the IUPAC name of benzyl 4-propan-2-yloxybenzoate?
The IUPAC name of benzyl 4-propan-2-yloxybenzoate (CID 70079883) is benzyl 4-propan-2-yloxybenzoate.
What is the SMILES notation for benzyl 4-propan-2-yloxybenzoate?
The canonical SMILES for benzyl 4-propan-2-yloxybenzoate is CC(C)Oc1ccc(C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 4-propan-2-yloxybenzoate?
The InChIKey is ODBFCNDBXNZPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13(2)20-16-10-8-15(9-11-16)17(18)19-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of benzyl 4-propan-2-yloxybenzoate?
benzyl 4-propan-2-yloxybenzoate has a molecular weight of 270.33 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-propan-2-yloxybenzoate is sourced from PubChem (CID 70079883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).