acetic acid;6-bromoazulen-2-ol

C12H11BrO3 — CID 71342868

IUPACacetic acid;6-bromoazulen-2-ol
SMILESCC(=O)O.Oc1cc2ccc(Br)ccc-2c1
InChIInChI=1S/C10H7BrO.C2H4O2/c11-9-3-1-7-5-10(12)6-8(7)2-4-9;1-2(3)4/h1-6,12H;1H3,(H,3,4)
InChIKeyJYIJYUXLKAVZLY-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.35
Rot. Bonds

About acetic acid;6-bromoazulen-2-ol

acetic acid;6-bromoazulen-2-ol (PubChem CID 71342868) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is acetic acid;6-bromoazulen-2-ol.

Molecular Properties

Compound Nameacetic acid;6-bromoazulen-2-ol
PubChem CID71342868
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Nameacetic acid;6-bromoazulen-2-ol
SMILESCC(=O)O.Oc1cc2ccc(Br)ccc-2c1
InChIInChI=1S/C10H7BrO.C2H4O2/c11-9-3-1-7-5-10(12)6-8(7)2-4-9;1-2(3)4/h1-6,12H;1H3,(H,3,4)
InChIKeyJYIJYUXLKAVZLY-UHFFFAOYSA-N
XLogP3.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;6-bromoazulen-2-ol?
The IUPAC name of acetic acid;6-bromoazulen-2-ol (CID 71342868) is acetic acid;6-bromoazulen-2-ol.
What is the SMILES notation for acetic acid;6-bromoazulen-2-ol?
The canonical SMILES for acetic acid;6-bromoazulen-2-ol is CC(=O)O.Oc1cc2ccc(Br)ccc-2c1.
What is the InChIKey of acetic acid;6-bromoazulen-2-ol?
The InChIKey is JYIJYUXLKAVZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO.C2H4O2/c11-9-3-1-7-5-10(12)6-8(7)2-4-9;1-2(3)4/h1-6,12H;1H3,(H,3,4).
What are the key properties of acetic acid;6-bromoazulen-2-ol?
acetic acid;6-bromoazulen-2-ol has a molecular weight of 283.12 g/mol, XLogP of 3.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-bromoazulen-2-ol is sourced from PubChem (CID 71342868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).