2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol

C33H33BrO4 — CID 69309287

IUPAC2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol
SMILESOCCOCCc1ccccc1C1(c2ccccc2CCOCCO)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C33H33BrO4/c34-26-13-14-28-27-9-3-6-12-31(27)33(32(28)23-26,29-10-4-1-7-24(29)15-19-37-21-17-35)30-11-5-2-8-25(30)16-20-38-22-18-36/h1-14,23,35-36H,15-22H2
InChIKeyRUVBOPIEVVAYEO-UHFFFAOYSA-N
MW573.53 g/mol
LogP5.91
Rot. Bonds12

About 2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol

2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol (PubChem CID 69309287) has the molecular formula C33H33BrO4 and a molecular weight of 573.53 g/mol. Its IUPAC name is 2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol
PubChem CID69309287
Molecular FormulaC33H33BrO4
Molecular Weight573.53 g/mol
Exact Mass572.16
IUPAC Name2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol
SMILESOCCOCCc1ccccc1C1(c2ccccc2CCOCCO)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C33H33BrO4/c34-26-13-14-28-27-9-3-6-12-31(27)33(32(28)23-26,29-10-4-1-7-24(29)15-19-37-21-17-35)30-11-5-2-8-25(30)16-20-38-22-18-36/h1-14,23,35-36H,15-22H2
InChIKeyRUVBOPIEVVAYEO-UHFFFAOYSA-N
XLogP5.91
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.53
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol (CID 69309287) is 2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol is OCCOCCc1ccccc1C1(c2ccccc2CCOCCO)c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol?
The InChIKey is RUVBOPIEVVAYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33BrO4/c34-26-13-14-28-27-9-3-6-12-31(27)33(32(28)23-26,29-10-4-1-7-24(29)15-19-37-21-17-35)30-11-5-2-8-25(30)16-20-38-22-18-36/h1-14,23,35-36H,15-22H2.
What are the key properties of 2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol?
2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol has a molecular weight of 573.53 g/mol, XLogP of 5.91, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol is sourced from PubChem (CID 69309287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).