7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol

C20H28BrFO — CID 71187920

IUPAC7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol
SMILESC/C=C/CCC(C)(CC)C1(O)c2c(ccc(F)c2Br)CC1(C)C
InChIInChI=1S/C20H28BrFO/c1-6-8-9-12-19(5,7-2)20(23)16-14(13-18(20,3)4)10-11-15(22)17(16)21/h6,8,10-11,23H,7,9,12-13H2,1-5H3/b8-6+
InChIKeyMABGBKKOXQCUFC-SOFGYWHQSA-N
MW383.35 g/mol
LogP6.13
Rot. Bonds5

About 7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol

7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol (PubChem CID 71187920) has the molecular formula C20H28BrFO and a molecular weight of 383.35 g/mol. Its IUPAC name is 7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol.

Molecular Properties

Compound Name7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol
PubChem CID71187920
Molecular FormulaC20H28BrFO
Molecular Weight383.35 g/mol
Exact Mass382.13
IUPAC Name7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol
SMILESC/C=C/CCC(C)(CC)C1(O)c2c(ccc(F)c2Br)CC1(C)C
InChIInChI=1S/C20H28BrFO/c1-6-8-9-12-19(5,7-2)20(23)16-14(13-18(20,3)4)10-11-15(22)17(16)21/h6,8,10-11,23H,7,9,12-13H2,1-5H3/b8-6+
InChIKeyMABGBKKOXQCUFC-SOFGYWHQSA-N
XLogP6.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.35
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol with MolForge

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Related Compounds

4-Bromo-1-indanol
CID 13330208
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
2-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59492587
4-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59493116
(1S)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915874
7-Bromo-2,3-dihydro-1H-inden-1-ol
CID 58306680
9-(2-Bromophenyl)-9H-fluoren-9-ol
CID 53330086
7-bromo-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11631765
7-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11638985
4-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950913
7-bromo-1-(1,4-dimethylpiperidin-4-yl)-6-fluoro-2,2-dimethyl-3H-inden-1-ol
CID 58950988
1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol
CID 58951003

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol?
The IUPAC name of 7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol (CID 71187920) is 7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol.
What is the SMILES notation for 7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol?
The canonical SMILES for 7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol is C/C=C/CCC(C)(CC)C1(O)c2c(ccc(F)c2Br)CC1(C)C.
What is the InChIKey of 7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol?
The InChIKey is MABGBKKOXQCUFC-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H28BrFO/c1-6-8-9-12-19(5,7-2)20(23)16-14(13-18(20,3)4)10-11-15(22)17(16)21/h6,8,10-11,23H,7,9,12-13H2,1-5H3/b8-6+.
What are the key properties of 7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol?
7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol has a molecular weight of 383.35 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol is sourced from PubChem (CID 71187920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).