propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate

C17H16Br2O3 — CID 28936

IUPACpropan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
SMILESCC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
InChIKeyFOANIXZHAMJWOI-UHFFFAOYSA-N
MW428.12 g/mol
LogP4.40
Rot. Bonds4

About propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate

propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate (PubChem CID 28936) has the molecular formula C17H16Br2O3 and a molecular weight of 428.12 g/mol. Its IUPAC name is propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
PubChem CID28936
Molecular FormulaC17H16Br2O3
Molecular Weight428.12 g/mol
Exact Mass425.95
IUPAC Namepropan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
SMILESCC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
InChIKeyFOANIXZHAMJWOI-UHFFFAOYSA-N
XLogP4.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.12
LogP ≤ 54.40
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-bis(4-bromophenyl)-2-hydroxyacetate?
The IUPAC name of propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate (CID 28936) is propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate.
What is the SMILES notation for propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate?
The canonical SMILES for propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate is CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate?
The InChIKey is FOANIXZHAMJWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3.
What are the key properties of propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate?
propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate has a molecular weight of 428.12 g/mol, XLogP of 4.40, 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-bis(4-bromophenyl)-2-hydroxyacetate is sourced from PubChem (CID 28936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).