2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one

C17H15BrO3 — CID 171893035

IUPAC2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(C(O)C(O)CCBr)cc21
InChIInChI=1S/C17H15BrO3/c18-8-7-15(19)16(20)10-5-6-12-11-3-1-2-4-13(11)17(21)14(12)9-10/h1-6,9,15-16,19-20H,7-8H2
InChIKeyLLBCNCIMXGBLJQ-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.08
Rot. Bonds4

About 2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one

2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one (PubChem CID 171893035) has the molecular formula C17H15BrO3 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one.

Molecular Properties

Compound Name2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one
PubChem CID171893035
Molecular FormulaC17H15BrO3
Molecular Weight347.21 g/mol
Exact Mass346.02
IUPAC Name2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(C(O)C(O)CCBr)cc21
InChIInChI=1S/C17H15BrO3/c18-8-7-15(19)16(20)10-5-6-12-11-3-1-2-4-13(11)17(21)14(12)9-10/h1-6,9,15-16,19-20H,7-8H2
InChIKeyLLBCNCIMXGBLJQ-UHFFFAOYSA-N
XLogP3.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one 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

2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one
CID 171858964
4-bromo-1-naphthalen-2-ylbutane-1,2-diol
CID 171892195
S-[4-(9,10-dioxophenanthren-3-yl)-3,4-dihydroxybutyl] ethanethioate
CID 171876930
tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate
CID 170833141
3-(4-bromo-1,2-dihydroxybutyl)benzaldehyde
CID 171891629
4-bromo-1-[4-(bromomethyl)phenyl]butane-1,2-diol
CID 171893074
5-(4-bromo-1,2-dihydroxybutyl)-1H-pyridin-2-one
CID 171893071
4-bromo-1-(3-bromo-4-chlorophenyl)butane-1,2-diol
CID 171893096
4-(4-bromo-1,2-dihydroxybutyl)-2-chlorobenzenesulfonamide
CID 171892695
3-(4-bromo-1,2-dihydroxybutyl)benzamide
CID 171892135
1-[5-(4-bromo-1,2-dihydroxybutyl)-2-chlorophenyl]ethanone
CID 171892331
4-bromo-1-[3-(chloromethyl)phenyl]butane-1,2-diol
CID 171891534

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one?
The IUPAC name of 2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one (CID 171893035) is 2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one.
What is the SMILES notation for 2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one?
The canonical SMILES for 2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one is O=C1c2ccccc2-c2ccc(C(O)C(O)CCBr)cc21.
What is the InChIKey of 2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one?
The InChIKey is LLBCNCIMXGBLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO3/c18-8-7-15(19)16(20)10-5-6-12-11-3-1-2-4-13(11)17(21)14(12)9-10/h1-6,9,15-16,19-20H,7-8H2.
What are the key properties of 2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one?
2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one has a molecular weight of 347.21 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,2-dihydroxybutyl)fluoren-9-one is sourced from PubChem (CID 171893035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).