2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene

C25H23BrO — CID 142742542

IUPAC2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene
SMILESC=Cc1ccc(COCc2ccc3c(c2)C(C)(C)c2cc(Br)ccc2-3)cc1
InChIInChI=1S/C25H23BrO/c1-4-17-5-7-18(8-6-17)15-27-16-19-9-11-21-22-12-10-20(26)14-24(22)25(2,3)23(21)13-19/h4-14H,1,15-16H2,2-3H3
InChIKeyNDHYGPPKIHYHNL-UHFFFAOYSA-N
MW419.36 g/mol
LogP7.12
Rot. Bonds5

About 2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene

2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene (PubChem CID 142742542) has the molecular formula C25H23BrO and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene
PubChem CID142742542
Molecular FormulaC25H23BrO
Molecular Weight419.36 g/mol
Exact Mass418.09
IUPAC Name2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene
SMILESC=Cc1ccc(COCc2ccc3c(c2)C(C)(C)c2cc(Br)ccc2-3)cc1
InChIInChI=1S/C25H23BrO/c1-4-17-5-7-18(8-6-17)15-27-16-19-9-11-21-22-12-10-20(26)14-24(22)25(2,3)23(21)13-19/h4-14H,1,15-16H2,2-3H3
InChIKeyNDHYGPPKIHYHNL-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.36
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,8S)-4-bromo-12-(2-fluoropropan-2-yl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene
CID 140757448
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
CID 145082424
2-bromo-9,9-bis(methoxymethyl)-9H-fluorene
CID 86065529
[2',7'-Dibromo-6-(hydroxymethyl)spiro[1,3-dihydroindene-2,9'-fluorene]-5-yl]methanol
CID 102052844
5-Bromo-3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 134861496
(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-[4-Bromo-2,6-bis(2,4,6-trimethylphenyl)phenyl]-1,3-dioxolane
CID 139040432
2-Bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene
CID 139257862
(11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane]
CID 162399117
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
1-[(4-Bromo-2-fluorophenyl)methoxymethyl]-2,4-dimethylbenzene
CID 84407578

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene?
The IUPAC name of 2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene (CID 142742542) is 2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene?
The canonical SMILES for 2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene is C=Cc1ccc(COCc2ccc3c(c2)C(C)(C)c2cc(Br)ccc2-3)cc1.
What is the InChIKey of 2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene?
The InChIKey is NDHYGPPKIHYHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrO/c1-4-17-5-7-18(8-6-17)15-27-16-19-9-11-21-22-12-10-20(26)14-24(22)25(2,3)23(21)13-19/h4-14H,1,15-16H2,2-3H3.
What are the key properties of 2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene?
2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene has a molecular weight of 419.36 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-[(4-ethenylphenyl)methoxymethyl]-9,9-dimethylfluorene is sourced from PubChem (CID 142742542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).