5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol

C10H11BrO — CID 171560787

IUPAC5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc2c(c(O)c1Br)CCC2
InChIInChI=1S/C10H11BrO/c1-6-5-7-3-2-4-8(7)10(12)9(6)11/h5,12H,2-4H2,1H3
InChIKeyAOEKXTUOLPFGDA-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.95
Rot. Bonds

About 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol

5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 171560787) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol
PubChem CID171560787
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc2c(c(O)c1Br)CCC2
InChIInChI=1S/C10H11BrO/c1-6-5-7-3-2-4-8(7)10(12)9(6)11/h5,12H,2-4H2,1H3
InChIKeyAOEKXTUOLPFGDA-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol (CID 171560787) is 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol is Cc1cc2c(c(O)c1Br)CCC2.
What is the InChIKey of 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is AOEKXTUOLPFGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-6-5-7-3-2-4-8(7)10(12)9(6)11/h5,12H,2-4H2,1H3.
What are the key properties of 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol?
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 227.10 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 171560787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).