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

C18H15BrO4 — CID 15661439

IUPAC(9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate
SMILESCC(=O)OCc1cc(Br)cc2c1C(OC(C)=O)c1ccccc1-2
InChIInChI=1S/C18H15BrO4/c1-10(20)22-9-12-7-13(19)8-16-14-5-3-4-6-15(14)18(17(12)16)23-11(2)21/h3-8,18H,9H2,1-2H3
InChIKeyQFNMELBADSJWOR-UHFFFAOYSA-N
MW375.22 g/mol
LogP4.15
Rot. Bonds3

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

(9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate (PubChem CID 15661439) has the molecular formula C18H15BrO4 and a molecular weight of 375.22 g/mol. Its IUPAC name is (9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate.

Molecular Properties

Compound Name(9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate
PubChem CID15661439
Molecular FormulaC18H15BrO4
Molecular Weight375.22 g/mol
Exact Mass374.02
IUPAC Name(9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate
SMILESCC(=O)OCc1cc(Br)cc2c1C(OC(C)=O)c1ccccc1-2
InChIInChI=1S/C18H15BrO4/c1-10(20)22-9-12-7-13(19)8-16-14-5-3-4-6-15(14)18(17(12)16)23-11(2)21/h3-8,18H,9H2,1-2H3
InChIKeyQFNMELBADSJWOR-UHFFFAOYSA-N
XLogP4.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
4-Bromo-1-indanyl acetate
CID 19801183
[(4-Bromophenyl)-(2,4,6-trimethylphenyl)methyl] acetate
CID 135010883
[(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl] acetate
CID 153616847
(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate
CID 154944159
1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-bromo-2,3-dihydro-1H-indene
CID 155181341
5-bromo-1-[(3,4-difluorophenyl)methoxy]-2,3-dihydro-1H-indene
CID 176209519
2,7-Dibromo-9H-fluoren-9-YL 2-methylprop-2-enoate
CID 71426708
9H-fluoren-9-yl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate
CID 7650740
6-Bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene
CID 11792050
2,7-Dibromospiro[fluorene-9,2'-oxirane]
CID 12388232
3-bromo-1-(hydroxymethyl)-9H-fluoren-9-ol
CID 15661437

Frequently Asked Questions

What is the IUPAC name of (9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate?
The IUPAC name of (9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate (CID 15661439) is (9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate.
What is the SMILES notation for (9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate?
The canonical SMILES for (9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate is CC(=O)OCc1cc(Br)cc2c1C(OC(C)=O)c1ccccc1-2.
What is the InChIKey of (9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate?
The InChIKey is QFNMELBADSJWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO4/c1-10(20)22-9-12-7-13(19)8-16-14-5-3-4-6-15(14)18(17(12)16)23-11(2)21/h3-8,18H,9H2,1-2H3.
What are the key properties of (9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate?
(9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate has a molecular weight of 375.22 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate is sourced from PubChem (CID 15661439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).