1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol

C17H16Br2O — CID 121446940

IUPAC1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol
SMILESCc1cc(Br)cc2c1-c1ccc(Br)cc1C2(C)C(C)O
InChIInChI=1S/C17H16Br2O/c1-9-6-12(19)8-15-16(9)13-5-4-11(18)7-14(13)17(15,3)10(2)20/h4-8,10,20H,1-3H3
InChIKeyIZXWXPVHXFEFMN-UHFFFAOYSA-N
MW396.12 g/mol
LogP5.19
Rot. Bonds1

About 1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol

1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol (PubChem CID 121446940) has the molecular formula C17H16Br2O and a molecular weight of 396.12 g/mol. Its IUPAC name is 1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol.

Molecular Properties

Compound Name1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol
PubChem CID121446940
Molecular FormulaC17H16Br2O
Molecular Weight396.12 g/mol
Exact Mass393.96
IUPAC Name1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol
SMILESCc1cc(Br)cc2c1-c1ccc(Br)cc1C2(C)C(C)O
InChIInChI=1S/C17H16Br2O/c1-9-6-12(19)8-15-16(9)13-5-4-11(18)7-14(13)17(15,3)10(2)20/h4-8,10,20H,1-3H3
InChIKeyIZXWXPVHXFEFMN-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.12
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-Dibromo-9h-fluorene-9,9-dihexanol
CID 86231316
(13R,14R,16R)-6-bromo-13-methyl-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthren-16-ol
CID 129626410
(13S,14S,16S)-6-bromo-13-methyl-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthren-16-ol
CID 129626426
1-[6-Bromo-2,2-bis(trifluoromethyl)-1,3-dihydroinden-5-yl]-2-(4-propylcyclohexyl)prop-2-en-1-ol
CID 88953542
5-Bromoindan-2-ol
CID 12192055
3-(2,7-Dibromo-9-methylfluoren-9-yl)propan-1-ol
CID 85997587
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
(1R,2S)-5-bromo-2-(hydroxymethyl)-2-(4-methylpenta-1,3-dien-3-yl)-1,3-dihydroinden-1-ol
CID 134968985
1-(3-Bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 63410872
1-(5-Bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 63410911
1-(4-Bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 63410953

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol?
The IUPAC name of 1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol (CID 121446940) is 1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol.
What is the SMILES notation for 1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol?
The canonical SMILES for 1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol is Cc1cc(Br)cc2c1-c1ccc(Br)cc1C2(C)C(C)O.
What is the InChIKey of 1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol?
The InChIKey is IZXWXPVHXFEFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2O/c1-9-6-12(19)8-15-16(9)13-5-4-11(18)7-14(13)17(15,3)10(2)20/h4-8,10,20H,1-3H3.
What are the key properties of 1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol?
1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol has a molecular weight of 396.12 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol is sourced from PubChem (CID 121446940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).