propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate

C18H19BrO3 — CID 131858315

IUPACpropan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate
SMILESCC(C)OC(=O)C(C)(c1ccccc1)c1ccc(O)cc1Br
InChIInChI=1S/C18H19BrO3/c1-12(2)22-17(21)18(3,13-7-5-4-6-8-13)15-10-9-14(20)11-16(15)19/h4-12,20H,1-3H3
InChIKeyIELWMNFEVLVEDW-UHFFFAOYSA-N
MW363.25 g/mol
LogP4.41
Rot. Bonds4

About propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate

propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate (PubChem CID 131858315) has the molecular formula C18H19BrO3 and a molecular weight of 363.25 g/mol. Its IUPAC name is propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate
PubChem CID131858315
Molecular FormulaC18H19BrO3
Molecular Weight363.25 g/mol
Exact Mass362.05
IUPAC Namepropan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate
SMILESCC(C)OC(=O)C(C)(c1ccccc1)c1ccc(O)cc1Br
InChIInChI=1S/C18H19BrO3/c1-12(2)22-17(21)18(3,13-7-5-4-6-8-13)15-10-9-14(20)11-16(15)19/h4-12,20H,1-3H3
InChIKeyIELWMNFEVLVEDW-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate?
The IUPAC name of propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate (CID 131858315) is propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate.
What is the SMILES notation for propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate?
The canonical SMILES for propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate is CC(C)OC(=O)C(C)(c1ccccc1)c1ccc(O)cc1Br.
What is the InChIKey of propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate?
The InChIKey is IELWMNFEVLVEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO3/c1-12(2)22-17(21)18(3,13-7-5-4-6-8-13)15-10-9-14(20)11-16(15)19/h4-12,20H,1-3H3.
What are the key properties of propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate?
propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate has a molecular weight of 363.25 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-bromo-4-hydroxyphenyl)-2-phenylpropanoate is sourced from PubChem (CID 131858315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).