3-bromo-9,9-dimethoxyfluorene

C15H13BrO2 — CID 139601391

IUPAC3-bromo-9,9-dimethoxyfluorene
SMILESCOC1(OC)c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C15H13BrO2/c1-17-15(18-2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15/h3-9H,1-2H3
InChIKeyWGYXFRDHMXJWCL-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.92
Rot. Bonds2

About 3-bromo-9,9-dimethoxyfluorene

3-bromo-9,9-dimethoxyfluorene (PubChem CID 139601391) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 3-bromo-9,9-dimethoxyfluorene.

Molecular Properties

Compound Name3-bromo-9,9-dimethoxyfluorene
PubChem CID139601391
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name3-bromo-9,9-dimethoxyfluorene
SMILESCOC1(OC)c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C15H13BrO2/c1-17-15(18-2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15/h3-9H,1-2H3
InChIKeyWGYXFRDHMXJWCL-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
9,9-Dimethoxyfluorene
CID 11521453
6-Bromo-5-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 69199438
5-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 69199578
1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-bromo-2,3-dihydro-1H-indene
CID 155181341
7-Bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene
CID 166755331
5-bromo-1-[(3,4-difluorophenyl)methoxy]-2,3-dihydro-1H-indene
CID 176209519
5-bromo-1-(difluoromethoxy)-2,3-dihydro-1H-indene
CID 176221821
5-bromo-6-fluoro-1-methoxy-2,3-dihydro-1H-indene
CID 176222207
4-Bromo-2-methyl-1-(methyloxy)-2,3-dihydro-1H-indene
CID 6422814
2',7'-Dibromospiro[1,3-dioxolane-2,9'-fluorene]
CID 69294899
2,7-Dibromo-9H-fluoren-9-YL 2-methylprop-2-enoate
CID 71426708

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9,9-dimethoxyfluorene?
The IUPAC name of 3-bromo-9,9-dimethoxyfluorene (CID 139601391) is 3-bromo-9,9-dimethoxyfluorene.
What is the SMILES notation for 3-bromo-9,9-dimethoxyfluorene?
The canonical SMILES for 3-bromo-9,9-dimethoxyfluorene is COC1(OC)c2ccccc2-c2cc(Br)ccc21.
What is the InChIKey of 3-bromo-9,9-dimethoxyfluorene?
The InChIKey is WGYXFRDHMXJWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-17-15(18-2)13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)15/h3-9H,1-2H3.
What are the key properties of 3-bromo-9,9-dimethoxyfluorene?
3-bromo-9,9-dimethoxyfluorene has a molecular weight of 305.17 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9,9-dimethoxyfluorene is sourced from PubChem (CID 139601391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).