5-bromo-2-methyl-1,3-dihydroinden-2-ol

C10H11BrO — CID 122530552

IUPAC5-bromo-2-methyl-1,3-dihydroinden-2-ol
SMILESCC1(O)Cc2ccc(Br)cc2C1
InChIInChI=1S/C10H11BrO/c1-10(12)5-7-2-3-9(11)4-8(7)6-10/h2-4,12H,5-6H2,1H3
InChIKeyGJPZGMIIEIWVTB-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.30
Rot. Bonds

About 5-bromo-2-methyl-1,3-dihydroinden-2-ol

5-bromo-2-methyl-1,3-dihydroinden-2-ol (PubChem CID 122530552) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 5-bromo-2-methyl-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name5-bromo-2-methyl-1,3-dihydroinden-2-ol
PubChem CID122530552
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name5-bromo-2-methyl-1,3-dihydroinden-2-ol
SMILESCC1(O)Cc2ccc(Br)cc2C1
InChIInChI=1S/C10H11BrO/c1-10(12)5-7-2-3-9(11)4-8(7)6-10/h2-4,12H,5-6H2,1H3
InChIKeyGJPZGMIIEIWVTB-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1,3-dihydroinden-2-ol?
The IUPAC name of 5-bromo-2-methyl-1,3-dihydroinden-2-ol (CID 122530552) is 5-bromo-2-methyl-1,3-dihydroinden-2-ol.
What is the SMILES notation for 5-bromo-2-methyl-1,3-dihydroinden-2-ol?
The canonical SMILES for 5-bromo-2-methyl-1,3-dihydroinden-2-ol is CC1(O)Cc2ccc(Br)cc2C1.
What is the InChIKey of 5-bromo-2-methyl-1,3-dihydroinden-2-ol?
The InChIKey is GJPZGMIIEIWVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-10(12)5-7-2-3-9(11)4-8(7)6-10/h2-4,12H,5-6H2,1H3.
What are the key properties of 5-bromo-2-methyl-1,3-dihydroinden-2-ol?
5-bromo-2-methyl-1,3-dihydroinden-2-ol has a molecular weight of 227.10 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1,3-dihydroinden-2-ol is sourced from PubChem (CID 122530552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).