6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene

C17H17BrO3 — CID 11792050

IUPAC6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene
SMILESCOCc1ccc2c(c1)C(OC)(OC)c1ccc(Br)cc1-2
InChIInChI=1S/C17H17BrO3/c1-19-10-11-4-6-13-14-9-12(18)5-7-15(14)17(20-2,21-3)16(13)8-11/h4-9H,10H2,1-3H3
InChIKeyBECMFSHLOWKIMZ-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.07
Rot. Bonds4

About 6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene

6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene (PubChem CID 11792050) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene.

Molecular Properties

Compound Name6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene
PubChem CID11792050
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene
SMILESCOCc1ccc2c(c1)C(OC)(OC)c1ccc(Br)cc1-2
InChIInChI=1S/C17H17BrO3/c1-19-10-11-4-6-13-14-9-12(18)5-7-15(14)17(20-2,21-3)16(13)8-11/h4-9H,10H2,1-3H3
InChIKeyBECMFSHLOWKIMZ-UHFFFAOYSA-N
XLogP4.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-Bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane
CID 145082420
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
CID 145082424
7-Bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene
CID 166755331
2',7'-Dibromospiro[1,3-dioxolane-2,9'-fluorene]
CID 69294899
4-Bromo-2,5-dimethyl-1-(methyloxy)-2,3-dihydro-1H-indene
CID 6423250
2H-Pyran, 2-[(6-bromo-2,3-dihydro-1H-inden-1-yl)oxy]tetrahydro-
CID 10494205
2,7-Dibromospiro[fluorene-9,2'-oxirane]
CID 12388232
(9-acetyloxy-3-bromo-9H-fluoren-1-yl)methyl acetate
CID 15661439
5-Bromo-1-(tetrahydropyran-2-yloxy)indane
CID 54485916
3-[6-[2,7-Dibromo-9-(2,5-dimethylphenyl)fluoren-9-yl]oxyhexoxymethyl]-3-methyloxetane
CID 57846328
4-Bromo-1-methoxy-2,5,6-trimethylindane
CID 59608908
2',7'-Dibromospiro[1,3,6,9,12,15-hexaoxacycloheptadecane-2,9'-fluorene]
CID 59881132

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene?
The IUPAC name of 6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene (CID 11792050) is 6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene.
What is the SMILES notation for 6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene?
The canonical SMILES for 6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene is COCc1ccc2c(c1)C(OC)(OC)c1ccc(Br)cc1-2.
What is the InChIKey of 6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene?
The InChIKey is BECMFSHLOWKIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-19-10-11-4-6-13-14-9-12(18)5-7-15(14)17(20-2,21-3)16(13)8-11/h4-9H,10H2,1-3H3.
What are the key properties of 6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene?
6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene has a molecular weight of 349.22 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene is sourced from PubChem (CID 11792050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).