7-bromo-1-methylinden-1-ol

C10H9BrO — CID 175158367

IUPAC7-bromo-1-methylinden-1-ol
SMILESCC1(O)C=Cc2cccc(Br)c21
InChIInChI=1S/C10H9BrO/c1-10(12)6-5-7-3-2-4-8(11)9(7)10/h2-6,12H,1H3
InChIKeyVVQIOEAEEOCAHD-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.68
Rot. Bonds

About 7-bromo-1-methylinden-1-ol

7-bromo-1-methylinden-1-ol (PubChem CID 175158367) has the molecular formula C10H9BrO and a molecular weight of 225.09 g/mol. Its IUPAC name is 7-bromo-1-methylinden-1-ol.

Molecular Properties

Compound Name7-bromo-1-methylinden-1-ol
PubChem CID175158367
Molecular FormulaC10H9BrO
Molecular Weight225.09 g/mol
Exact Mass223.98
IUPAC Name7-bromo-1-methylinden-1-ol
SMILESCC1(O)C=Cc2cccc(Br)c21
InChIInChI=1S/C10H9BrO/c1-10(12)6-5-7-3-2-4-8(11)9(7)10/h2-6,12H,1H3
InChIKeyVVQIOEAEEOCAHD-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methylinden-1-ol?
The IUPAC name of 7-bromo-1-methylinden-1-ol (CID 175158367) is 7-bromo-1-methylinden-1-ol.
What is the SMILES notation for 7-bromo-1-methylinden-1-ol?
The canonical SMILES for 7-bromo-1-methylinden-1-ol is CC1(O)C=Cc2cccc(Br)c21.
What is the InChIKey of 7-bromo-1-methylinden-1-ol?
The InChIKey is VVQIOEAEEOCAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO/c1-10(12)6-5-7-3-2-4-8(11)9(7)10/h2-6,12H,1H3.
What are the key properties of 7-bromo-1-methylinden-1-ol?
7-bromo-1-methylinden-1-ol has a molecular weight of 225.09 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methylinden-1-ol is sourced from PubChem (CID 175158367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).