2-(dibromomethyl)-1,3-dihydroinden-2-ol

C10H10Br2O — CID 72793193

IUPAC2-(dibromomethyl)-1,3-dihydroinden-2-ol
SMILESOC1(C(Br)Br)Cc2ccccc2C1
InChIInChI=1S/C10H10Br2O/c11-9(12)10(13)5-7-3-1-2-4-8(7)6-10/h1-4,9,13H,5-6H2
InChIKeyLSGJTXLWWANFHS-UHFFFAOYSA-N
MW306.00 g/mol
LogP2.63
Rot. Bonds1

About 2-(dibromomethyl)-1,3-dihydroinden-2-ol

2-(dibromomethyl)-1,3-dihydroinden-2-ol (PubChem CID 72793193) has the molecular formula C10H10Br2O and a molecular weight of 306.00 g/mol. Its IUPAC name is 2-(dibromomethyl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-(dibromomethyl)-1,3-dihydroinden-2-ol
PubChem CID72793193
Molecular FormulaC10H10Br2O
Molecular Weight306.00 g/mol
Exact Mass303.91
IUPAC Name2-(dibromomethyl)-1,3-dihydroinden-2-ol
SMILESOC1(C(Br)Br)Cc2ccccc2C1
InChIInChI=1S/C10H10Br2O/c11-9(12)10(13)5-7-3-1-2-4-8(7)6-10/h1-4,9,13H,5-6H2
InChIKeyLSGJTXLWWANFHS-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethyl)-1,3-dihydroinden-2-ol?
The IUPAC name of 2-(dibromomethyl)-1,3-dihydroinden-2-ol (CID 72793193) is 2-(dibromomethyl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-(dibromomethyl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-(dibromomethyl)-1,3-dihydroinden-2-ol is OC1(C(Br)Br)Cc2ccccc2C1.
What is the InChIKey of 2-(dibromomethyl)-1,3-dihydroinden-2-ol?
The InChIKey is LSGJTXLWWANFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O/c11-9(12)10(13)5-7-3-1-2-4-8(7)6-10/h1-4,9,13H,5-6H2.
What are the key properties of 2-(dibromomethyl)-1,3-dihydroinden-2-ol?
2-(dibromomethyl)-1,3-dihydroinden-2-ol has a molecular weight of 306.00 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethyl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 72793193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).