2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene

C19H19BrO — CID 89405754

IUPAC2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene
SMILESC=C(OCC)c1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2
InChIInChI=1S/C19H19BrO/c1-5-21-12(2)13-6-8-15-16-9-7-14(20)11-18(16)19(3,4)17(15)10-13/h6-11H,2,5H2,1,3-4H3
InChIKeyPZVOPYFYAZRBGA-UHFFFAOYSA-N
MW343.26 g/mol
LogP5.76
Rot. Bonds3

About 2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene

2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene (PubChem CID 89405754) has the molecular formula C19H19BrO and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene
PubChem CID89405754
Molecular FormulaC19H19BrO
Molecular Weight343.26 g/mol
Exact Mass342.06
IUPAC Name2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene
SMILESC=C(OCC)c1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2
InChIInChI=1S/C19H19BrO/c1-5-21-12(2)13-6-8-15-16-9-7-14(20)11-18(16)19(3,4)17(15)10-13/h6-11H,2,5H2,1,3-4H3
InChIKeyPZVOPYFYAZRBGA-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.26
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-7-(1-ethoxyethenyl)-9,9,10,10-tetrafluorophenanthrene
CID 122602713
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
1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-bromo-2,3-dihydro-1H-indene
CID 155181341
6-bromo-3-(4-fluorophenyl)-3-propyl-1H-2-benzofuran
CID 173273612
2-bromo-9,9-bis(methoxymethyl)-9H-fluorene
CID 86065529
5-Bromo-3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 134861496
2,7-ditert-butyl-4-(methoxymethyl)-9H-fluorene
CID 134887800
(1S,3aS,3bR,9bS,11aS)-7-bromo-3a,9b-dimethyl-1-phenyl-1,3,3b,4,5,10,11,11a-octahydronaphtho[2,1-e][2]benzofuran
CID 139038691
2-Bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene
CID 139257862
5-(3-Bromophenyl)-1,1,3,3-tetramethyl-2-benzofuran
CID 164670911
2-(7-bromo-9,9-dimethylfluoren-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 178337946

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene?
The IUPAC name of 2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene (CID 89405754) is 2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene?
The canonical SMILES for 2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene is C=C(OCC)c1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2.
What is the InChIKey of 2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene?
The InChIKey is PZVOPYFYAZRBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO/c1-5-21-12(2)13-6-8-15-16-9-7-14(20)11-18(16)19(3,4)17(15)10-13/h6-11H,2,5H2,1,3-4H3.
What are the key properties of 2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene?
2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene has a molecular weight of 343.26 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 89405754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).