2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene

C31H29BrO2 — CID 23151775

IUPAC2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene
SMILESBrc1ccc2c(c1)C(CCOCc1ccccc1)(CCOCc1ccccc1)c1ccccc1-2
InChIInChI=1S/C31H29BrO2/c32-26-15-16-28-27-13-7-8-14-29(27)31(30(28)21-26,17-19-33-22-24-9-3-1-4-10-24)18-20-34-23-25-11-5-2-6-12-25/h1-16,21H,17-20,22-23H2
InChIKeySGXIZDMBNIRBFF-UHFFFAOYSA-N
MW513.48 g/mol
LogP7.93
Rot. Bonds10

About 2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene

2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene (PubChem CID 23151775) has the molecular formula C31H29BrO2 and a molecular weight of 513.48 g/mol. Its IUPAC name is 2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene.

Molecular Properties

Compound Name2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene
PubChem CID23151775
Molecular FormulaC31H29BrO2
Molecular Weight513.48 g/mol
Exact Mass512.14
IUPAC Name2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene
SMILESBrc1ccc2c(c1)C(CCOCc1ccccc1)(CCOCc1ccccc1)c1ccccc1-2
InChIInChI=1S/C31H29BrO2/c32-26-15-16-28-27-13-7-8-14-29(27)31(30(28)21-26,17-19-33-22-24-9-3-1-4-10-24)18-20-34-23-25-11-5-2-6-12-25/h1-16,21H,17-20,22-23H2
InChIKeySGXIZDMBNIRBFF-UHFFFAOYSA-N
XLogP7.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.48
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-1-[[4-bromo-2-(4-fluorophenyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)benzene
CID 139889967
1-Bromo-4-[2-[(4-bromophenyl)methyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]benzene
CID 21265760
2-Bromo-9,9-bis(4-methoxyphenyl)fluorene
CID 22020083
2,7-Dibromo-9-(2,7-dibromo-9-ethylfluoren-9-yl)oxy-9-ethylfluorene
CID 57626560
[(4-bromophenyl)-(9H-fluoren-9-yl)methyl] acetate
CID 58482082
2-Bromo-9,9-bis[2-(2-phenoxyethoxy)ethyl]fluorene
CID 58978762
2-[2-[2-[2-Bromo-9-[2-[2-(2-hydroxyethoxy)ethyl]phenyl]fluoren-9-yl]phenyl]ethoxy]ethanol
CID 69309287
2-Bromo-9,9-bis(2-methoxyethyl)-9H-fluorene
CID 69587086
9-Allyl-9-allyloxy-2,7-dibromo-fluorene
CID 86731869
2',7'-Dibromospiro[2,5-dihydropyran-6,9'-fluorene]
CID 86731870
2,7-Dibromospiro[fluorene-9,2'-tetrahydropyran]
CID 86731871
2-Bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene
CID 89405754

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene?
The IUPAC name of 2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene (CID 23151775) is 2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene.
What is the SMILES notation for 2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene?
The canonical SMILES for 2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene is Brc1ccc2c(c1)C(CCOCc1ccccc1)(CCOCc1ccccc1)c1ccccc1-2.
What is the InChIKey of 2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene?
The InChIKey is SGXIZDMBNIRBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29BrO2/c32-26-15-16-28-27-13-7-8-14-29(27)31(30(28)21-26,17-19-33-22-24-9-3-1-4-10-24)18-20-34-23-25-11-5-2-6-12-25/h1-16,21H,17-20,22-23H2.
What are the key properties of 2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene?
2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene has a molecular weight of 513.48 g/mol, XLogP of 7.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-bis(2-phenylmethoxyethyl)fluorene is sourced from PubChem (CID 23151775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).