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

C11H13BrO — CID 22349568

IUPAC5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol
SMILESCC1(C)Cc2cc(Br)ccc2C1O
InChIInChI=1S/C11H13BrO/c1-11(2)6-7-5-8(12)3-4-9(7)10(11)13/h3-5,10,13H,6H2,1-2H3
InChIKeyNVQXKESNTGWMBI-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.06
Rot. Bonds

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

5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol (PubChem CID 22349568) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol
PubChem CID22349568
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol
SMILESCC1(C)Cc2cc(Br)ccc2C1O
InChIInChI=1S/C11H13BrO/c1-11(2)6-7-5-8(12)3-4-9(7)10(11)13/h3-5,10,13H,6H2,1-2H3
InChIKeyNVQXKESNTGWMBI-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol?
The IUPAC name of 5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol (CID 22349568) is 5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol.
What is the SMILES notation for 5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol?
The canonical SMILES for 5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol is CC1(C)Cc2cc(Br)ccc2C1O.
What is the InChIKey of 5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol?
The InChIKey is NVQXKESNTGWMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-11(2)6-7-5-8(12)3-4-9(7)10(11)13/h3-5,10,13H,6H2,1-2H3.
What are the key properties of 5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol?
5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol has a molecular weight of 241.13 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol is sourced from PubChem (CID 22349568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).