[(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate

C22H17BrO2 — CID 58482082

IUPAC[(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate
SMILESCC(=O)OC(c1ccc(Br)cc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17BrO2/c1-14(24)25-22(15-10-12-16(23)13-11-15)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13,21-22H,1H3
InChIKeyRGKXCTMWQJLWAD-UHFFFAOYSA-N
MW393.28 g/mol
LogP5.87
Rot. Bonds3

About [(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate

[(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate (PubChem CID 58482082) has the molecular formula C22H17BrO2 and a molecular weight of 393.28 g/mol. Its IUPAC name is [(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate.

Molecular Properties

Compound Name[(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate
PubChem CID58482082
Molecular FormulaC22H17BrO2
Molecular Weight393.28 g/mol
Exact Mass392.04
IUPAC Name[(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate
SMILESCC(=O)OC(c1ccc(Br)cc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17BrO2/c1-14(24)25-22(15-10-12-16(23)13-11-15)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13,21-22H,1H3
InChIKeyRGKXCTMWQJLWAD-UHFFFAOYSA-N
XLogP5.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate?
The IUPAC name of [(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate (CID 58482082) is [(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate.
What is the SMILES notation for [(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate?
The canonical SMILES for [(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate is CC(=O)OC(c1ccc(Br)cc1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of [(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate?
The InChIKey is RGKXCTMWQJLWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrO2/c1-14(24)25-22(15-10-12-16(23)13-11-15)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13,21-22H,1H3.
What are the key properties of [(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate?
[(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate has a molecular weight of 393.28 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate is sourced from PubChem (CID 58482082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).