2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene

C33H33BrO4 — CID 58978762

IUPAC2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene
SMILESBrc1ccc2c(c1)C(CCOCCOc1ccccc1)(CCOCCOc1ccccc1)c1ccccc1-2
InChIInChI=1S/C33H33BrO4/c34-26-15-16-30-29-13-7-8-14-31(29)33(32(30)25-26,17-19-35-21-23-37-27-9-3-1-4-10-27)18-20-36-22-24-38-28-11-5-2-6-12-28/h1-16,25H,17-24H2
InChIKeyWMZZEGRLXIQQAX-UHFFFAOYSA-N
MW573.53 g/mol
LogP7.69
Rot. Bonds14

About 2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene

2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene (PubChem CID 58978762) has the molecular formula C33H33BrO4 and a molecular weight of 573.53 g/mol. Its IUPAC name is 2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene.

Molecular Properties

Compound Name2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene
PubChem CID58978762
Molecular FormulaC33H33BrO4
Molecular Weight573.53 g/mol
Exact Mass572.16
IUPAC Name2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene
SMILESBrc1ccc2c(c1)C(CCOCCOc1ccccc1)(CCOCCOc1ccccc1)c1ccccc1-2
InChIInChI=1S/C33H33BrO4/c34-26-15-16-30-29-13-7-8-14-31(29)33(32(30)25-26,17-19-35-21-23-37-27-9-3-1-4-10-27)18-20-36-22-24-38-28-11-5-2-6-12-28/h1-16,25H,17-24H2
InChIKeyWMZZEGRLXIQQAX-UHFFFAOYSA-N
XLogP7.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.53
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2'-Bromospiro[fluorene-9,9'-xanthene]
CID 90153653
4-Bromospiro[fluorene-9,9'-xanthene]
CID 90153673
2-Bromospiro[fluorene-9,9'-xanthene]
CID 11546047
2,7-Dibromo-9,9-bis(4-sulfonylbutoxyphenyl)fluorene
CID 25270921
2,7-Dibromo-3',6'-dioctoxyspiro[fluorene-9,9'-xanthene]
CID 101383164
2,6-Dibromo-4,4-bis(4-((2-ethylhexyl)oxy)phenyl)-4h-cyclopenta[def]phenanthrene
CID 102028757
2,7-Dibromo-4-(octyloxy)-9,9-diphenyl-fluorene
CID 102228343
2,7-Dibromo-9-(4-(octyloxy)phenyl)-fluorene
CID 129825439
2-Bromo-9-(4-butoxyphenyl)-9-fluorenol
CID 154574244
2-Bromo-9,9-bis(4-butoxyphenyl)-fluorene
CID 154574400
2,7-Dibromo-9,9-bis[8-(2,3,4,5,6-pentafluorophenoxy)octyl]fluorene
CID 58274120
2,7-Dibromo-9,9-bis[4-[8-(2,3,4,5,6-pentafluorophenoxy)octoxy]phenyl]fluorene
CID 58274124

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene?
The IUPAC name of 2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene (CID 58978762) is 2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene.
What is the SMILES notation for 2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene?
The canonical SMILES for 2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene is Brc1ccc2c(c1)C(CCOCCOc1ccccc1)(CCOCCOc1ccccc1)c1ccccc1-2.
What is the InChIKey of 2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene?
The InChIKey is WMZZEGRLXIQQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33BrO4/c34-26-15-16-30-29-13-7-8-14-31(29)33(32(30)25-26,17-19-35-21-23-37-27-9-3-1-4-10-27)18-20-36-22-24-38-28-11-5-2-6-12-28/h1-16,25H,17-24H2.
What are the key properties of 2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene?
2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene has a molecular weight of 573.53 g/mol, XLogP of 7.69, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene is sourced from PubChem (CID 58978762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).