(3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate

C16H13BrO3 — CID 15661438

IUPAC(3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate
SMILESCC(=O)OCc1cc(Br)cc2c1C(O)c1ccccc1-2
InChIInChI=1S/C16H13BrO3/c1-9(18)20-8-10-6-11(17)7-14-12-4-2-3-5-13(12)16(19)15(10)14/h2-7,16,19H,8H2,1H3
InChIKeyHSRVCXSQHZMMNZ-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.57
Rot. Bonds2

About (3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate

(3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate (PubChem CID 15661438) has the molecular formula C16H13BrO3 and a molecular weight of 333.18 g/mol. Its IUPAC name is (3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate.

Molecular Properties

Compound Name(3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate
PubChem CID15661438
Molecular FormulaC16H13BrO3
Molecular Weight333.18 g/mol
Exact Mass332.00
IUPAC Name(3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate
SMILESCC(=O)OCc1cc(Br)cc2c1C(O)c1ccccc1-2
InChIInChI=1S/C16H13BrO3/c1-9(18)20-8-10-6-11(17)7-14-12-4-2-3-5-13(12)16(19)15(10)14/h2-7,16,19H,8H2,1H3
InChIKeyHSRVCXSQHZMMNZ-UHFFFAOYSA-N
XLogP3.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate?
The IUPAC name of (3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate (CID 15661438) is (3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate.
What is the SMILES notation for (3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate?
The canonical SMILES for (3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate is CC(=O)OCc1cc(Br)cc2c1C(O)c1ccccc1-2.
What is the InChIKey of (3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate?
The InChIKey is HSRVCXSQHZMMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO3/c1-9(18)20-8-10-6-11(17)7-14-12-4-2-3-5-13(12)16(19)15(10)14/h2-7,16,19H,8H2,1H3.
What are the key properties of (3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate?
(3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate has a molecular weight of 333.18 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate is sourced from PubChem (CID 15661438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).