8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid

C10H8BrClO4 — CID 130067130

IUPAC8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid
SMILESO=C(O)C1CCOc2c1cc(Cl)c(O)c2Br
InChIInChI=1S/C10H8BrClO4/c11-7-8(13)6(12)3-5-4(10(14)15)1-2-16-9(5)7/h3-4,13H,1-2H2,(H,14,15)
InChIKeyMRJNDGFYCCUEBR-UHFFFAOYSA-N
MW307.53 g/mol
LogP2.76
Rot. Bonds1

About 8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid

8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid (PubChem CID 130067130) has the molecular formula C10H8BrClO4 and a molecular weight of 307.53 g/mol. Its IUPAC name is 8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid.

Molecular Properties

Compound Name8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid
PubChem CID130067130
Molecular FormulaC10H8BrClO4
Molecular Weight307.53 g/mol
Exact Mass305.93
IUPAC Name8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid
SMILESO=C(O)C1CCOc2c1cc(Cl)c(O)c2Br
InChIInChI=1S/C10H8BrClO4/c11-7-8(13)6(12)3-5-4(10(14)15)1-2-16-9(5)7/h3-4,13H,1-2H2,(H,14,15)
InChIKeyMRJNDGFYCCUEBR-UHFFFAOYSA-N
XLogP2.76
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid?
The IUPAC name of 8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid (CID 130067130) is 8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid.
What is the SMILES notation for 8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid?
The canonical SMILES for 8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid is O=C(O)C1CCOc2c1cc(Cl)c(O)c2Br.
What is the InChIKey of 8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid?
The InChIKey is MRJNDGFYCCUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO4/c11-7-8(13)6(12)3-5-4(10(14)15)1-2-16-9(5)7/h3-4,13H,1-2H2,(H,14,15).
What are the key properties of 8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid?
8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid has a molecular weight of 307.53 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylic acid is sourced from PubChem (CID 130067130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).