(3-bromophenyl) 2,2-diphenylacetate

C20H15BrO2 — CID 19114604

IUPAC(3-bromophenyl) 2,2-diphenylacetate
SMILESO=C(Oc1cccc(Br)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15BrO2/c21-17-12-7-13-18(14-17)23-20(22)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H
InChIKeyPQBLGMFDRRDEJY-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.19
Rot. Bonds4

About (3-bromophenyl) 2,2-diphenylacetate

(3-bromophenyl) 2,2-diphenylacetate (PubChem CID 19114604) has the molecular formula C20H15BrO2 and a molecular weight of 367.24 g/mol. Its IUPAC name is (3-bromophenyl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(3-bromophenyl) 2,2-diphenylacetate
PubChem CID19114604
Molecular FormulaC20H15BrO2
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name(3-bromophenyl) 2,2-diphenylacetate
SMILESO=C(Oc1cccc(Br)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15BrO2/c21-17-12-7-13-18(14-17)23-20(22)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H
InChIKeyPQBLGMFDRRDEJY-UHFFFAOYSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
(3-bromophenyl) 2-hydroxyacetate
CID 130732790
4-(3-bromophenoxy)-4-oxobutanoic acid
CID 82123982
4-(2,2-diphenylacetyl)oxybenzoate
CID 6956217
dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate
CID 2463089
propan-2-yl 2-(3-bromophenoxy)prop-2-enoate
CID 175389875
(2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate
CID 16595671
2-(3-bromophenoxy)-2-fluoroacetic acid
CID 79357675
(4-ethylphenyl) 2,2-diphenylacetate
CID 1226572
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
(2-acetylphenyl) 2,2-diphenylacetate
CID 134840846
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl) 2,2-diphenylacetate?
The IUPAC name of (3-bromophenyl) 2,2-diphenylacetate (CID 19114604) is (3-bromophenyl) 2,2-diphenylacetate.
What is the SMILES notation for (3-bromophenyl) 2,2-diphenylacetate?
The canonical SMILES for (3-bromophenyl) 2,2-diphenylacetate is O=C(Oc1cccc(Br)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-bromophenyl) 2,2-diphenylacetate?
The InChIKey is PQBLGMFDRRDEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO2/c21-17-12-7-13-18(14-17)23-20(22)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H.
What are the key properties of (3-bromophenyl) 2,2-diphenylacetate?
(3-bromophenyl) 2,2-diphenylacetate has a molecular weight of 367.24 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl) 2,2-diphenylacetate is sourced from PubChem (CID 19114604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).