propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate

C18H17BrO4 — CID 1305384

IUPACpropan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate
SMILESCC(C)OC(=O)c1ccc(COC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H17BrO4/c1-12(2)23-18(21)15-5-3-13(4-6-15)11-22-17(20)14-7-9-16(19)10-8-14/h3-10,12H,11H2,1-2H3
InChIKeyOXTUGXMXOSFICM-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.37
Rot. Bonds5

About propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate

propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate (PubChem CID 1305384) has the molecular formula C18H17BrO4 and a molecular weight of 377.23 g/mol. Its IUPAC name is propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate
PubChem CID1305384
Molecular FormulaC18H17BrO4
Molecular Weight377.23 g/mol
Exact Mass376.03
IUPAC Namepropan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate
SMILESCC(C)OC(=O)c1ccc(COC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H17BrO4/c1-12(2)23-18(21)15-5-3-13(4-6-15)11-22-17(20)14-7-9-16(19)10-8-14/h3-10,12H,11H2,1-2H3
InChIKeyOXTUGXMXOSFICM-UHFFFAOYSA-N
XLogP4.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
benzyl 4-bromobenzoate
CID 603177
(4-bromophenyl)methyl 4-(methylamino)benzoate
CID 104698988
4-O-[(4-bromophenyl)methyl] 1-O-butyl benzene-1,4-dicarboxylate
CID 91733678
propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
CID 2199290
propan-2-yl 4-ethylbenzoate
CID 583760
(4-bromophenyl)methyl pyridine-4-carboxylate
CID 1094796
(4-propan-2-yloxycarbonylphenyl)methyl naphthalene-1-carboxylate
CID 925814
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
(4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670152
propan-2-yl 4-(nitrooxymethyl)benzoate
CID 89112347
(4-bromophenyl)methyl 2-aminopropanoate
CID 79016894

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate?
The IUPAC name of propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate (CID 1305384) is propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate.
What is the SMILES notation for propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate?
The canonical SMILES for propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate is CC(C)OC(=O)c1ccc(COC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate?
The InChIKey is OXTUGXMXOSFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO4/c1-12(2)23-18(21)15-5-3-13(4-6-15)11-22-17(20)14-7-9-16(19)10-8-14/h3-10,12H,11H2,1-2H3.
What are the key properties of propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate?
propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate has a molecular weight of 377.23 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate is sourced from PubChem (CID 1305384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).