2,6-dibromophenol;pentanoic acid

C11H14Br2O3 — CID 175173192

IUPAC2,6-dibromophenol;pentanoic acid
SMILESCCCCC(=O)O.Oc1c(Br)cccc1Br
InChIInChI=1S/C6H4Br2O.C5H10O2/c7-4-2-1-3-5(8)6(4)9;1-2-3-4-5(6)7/h1-3,9H;2-4H2,1H3,(H,6,7)
InChIKeyBABUZUNQYAVHSV-UHFFFAOYSA-N
MW354.04 g/mol
LogP4.18
Rot. Bonds3

About 2,6-dibromophenol;pentanoic acid

2,6-dibromophenol;pentanoic acid (PubChem CID 175173192) has the molecular formula C11H14Br2O3 and a molecular weight of 354.04 g/mol. Its IUPAC name is 2,6-dibromophenol;pentanoic acid.

Molecular Properties

Compound Name2,6-dibromophenol;pentanoic acid
PubChem CID175173192
Molecular FormulaC11H14Br2O3
Molecular Weight354.04 g/mol
Exact Mass351.93
IUPAC Name2,6-dibromophenol;pentanoic acid
SMILESCCCCC(=O)O.Oc1c(Br)cccc1Br
InChIInChI=1S/C6H4Br2O.C5H10O2/c7-4-2-1-3-5(8)6(4)9;1-2-3-4-5(6)7/h1-3,9H;2-4H2,1H3,(H,6,7)
InChIKeyBABUZUNQYAVHSV-UHFFFAOYSA-N
XLogP4.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.04
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dibromophenol;pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-4-fluorobenzene;pentanoic acid
CID 175420474
benzene-1,3-diol;bis(heptadecanoic acid)
CID 159990234
benzene-1,3-diol;decanoic acid
CID 175490572
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
benzene-1,2,3,4,5,6-hexol;pentakis(octadecanoic acid)
CID 160555816
benzene;hexadecanoic acid
CID 162199490
benzene;decanoic acid
CID 159351150
hexanoic acid;2-hexylbenzene-1,3-diol
CID 175405171

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromophenol;pentanoic acid?
The IUPAC name of 2,6-dibromophenol;pentanoic acid (CID 175173192) is 2,6-dibromophenol;pentanoic acid.
What is the SMILES notation for 2,6-dibromophenol;pentanoic acid?
The canonical SMILES for 2,6-dibromophenol;pentanoic acid is CCCCC(=O)O.Oc1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromophenol;pentanoic acid?
The InChIKey is BABUZUNQYAVHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2O.C5H10O2/c7-4-2-1-3-5(8)6(4)9;1-2-3-4-5(6)7/h1-3,9H;2-4H2,1H3,(H,6,7).
What are the key properties of 2,6-dibromophenol;pentanoic acid?
2,6-dibromophenol;pentanoic acid has a molecular weight of 354.04 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromophenol;pentanoic acid is sourced from PubChem (CID 175173192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).