(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol

C11H13BrO — CID 79837956

IUPAC(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)C[C@H](O)c2cc(Br)ccc21
InChIInChI=1S/C11H13BrO/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6H2,1-2H3/t10-/m0/s1
InChIKeyOXIZEXSPMCKKTO-JTQLQIEISA-N
MW241.13 g/mol
LogP3.16
Rot. Bonds

About (1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol

(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol (PubChem CID 79837956) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is (1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol
PubChem CID79837956
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)C[C@H](O)c2cc(Br)ccc21
InChIInChI=1S/C11H13BrO/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6H2,1-2H3/t10-/m0/s1
InChIKeyOXIZEXSPMCKKTO-JTQLQIEISA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol?
The IUPAC name of (1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol (CID 79837956) is (1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for (1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol?
The canonical SMILES for (1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol is CC1(C)C[C@H](O)c2cc(Br)ccc21.
What is the InChIKey of (1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol?
The InChIKey is OXIZEXSPMCKKTO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13BrO/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol?
(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol has a molecular weight of 241.13 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 79837956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).