3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol

C18H19BrO2 — CID 171861016

IUPAC3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol
SMILESCC1(C)c2ccccc2-c2ccc(C(O)C(O)CBr)cc21
InChIInChI=1S/C18H19BrO2/c1-18(2)14-6-4-3-5-12(14)13-8-7-11(9-15(13)18)17(21)16(20)10-19/h3-9,16-17,20-21H,10H2,1-2H3
InChIKeyFKYUIBVYMMMKGY-UHFFFAOYSA-N
MW347.25 g/mol
LogP3.78
Rot. Bonds3

About 3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol

3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol (PubChem CID 171861016) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol
PubChem CID171861016
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol
SMILESCC1(C)c2ccccc2-c2ccc(C(O)C(O)CBr)cc21
InChIInChI=1S/C18H19BrO2/c1-18(2)14-6-4-3-5-12(14)13-8-7-11(9-15(13)18)17(21)16(20)10-19/h3-9,16-17,20-21H,10H2,1-2H3
InChIKeyFKYUIBVYMMMKGY-UHFFFAOYSA-N
XLogP3.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid
CID 171878709
1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891251
N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide
CID 171884083
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol?
The IUPAC name of 3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol (CID 171861016) is 3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol.
What is the SMILES notation for 3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol?
The canonical SMILES for 3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol is CC1(C)c2ccccc2-c2ccc(C(O)C(O)CBr)cc21.
What is the InChIKey of 3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol?
The InChIKey is FKYUIBVYMMMKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-18(2)14-6-4-3-5-12(14)13-8-7-11(9-15(13)18)17(21)16(20)10-19/h3-9,16-17,20-21H,10H2,1-2H3.
What are the key properties of 3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol?
3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol has a molecular weight of 347.25 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol is sourced from PubChem (CID 171861016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).