2-butyl-2H-chromene-6-carboxylic acid

C14H16O3 — CID 174747813

IUPAC2-butyl-2H-chromene-6-carboxylic acid
SMILESCCCCC1C=Cc2cc(C(=O)O)ccc2O1
InChIInChI=1S/C14H16O3/c1-2-3-4-12-7-5-10-9-11(14(15)16)6-8-13(10)17-12/h5-9,12H,2-4H2,1H3,(H,15,16)
InChIKeyDYTUEOFEIBHZNW-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.35
Rot. Bonds4

About 2-butyl-2H-chromene-6-carboxylic acid

2-butyl-2H-chromene-6-carboxylic acid (PubChem CID 174747813) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-butyl-2H-chromene-6-carboxylic acid.

Molecular Properties

Compound Name2-butyl-2H-chromene-6-carboxylic acid
PubChem CID174747813
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-butyl-2H-chromene-6-carboxylic acid
SMILESCCCCC1C=Cc2cc(C(=O)O)ccc2O1
InChIInChI=1S/C14H16O3/c1-2-3-4-12-7-5-10-9-11(14(15)16)6-8-13(10)17-12/h5-9,12H,2-4H2,1H3,(H,15,16)
InChIKeyDYTUEOFEIBHZNW-UHFFFAOYSA-N
XLogP3.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butyl-2H-chromene-6-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 2-butyl-2H-chromene-6-carboxylic acid?
The IUPAC name of 2-butyl-2H-chromene-6-carboxylic acid (CID 174747813) is 2-butyl-2H-chromene-6-carboxylic acid.
What is the SMILES notation for 2-butyl-2H-chromene-6-carboxylic acid?
The canonical SMILES for 2-butyl-2H-chromene-6-carboxylic acid is CCCCC1C=Cc2cc(C(=O)O)ccc2O1.
What is the InChIKey of 2-butyl-2H-chromene-6-carboxylic acid?
The InChIKey is DYTUEOFEIBHZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-3-4-12-7-5-10-9-11(14(15)16)6-8-13(10)17-12/h5-9,12H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-butyl-2H-chromene-6-carboxylic acid?
2-butyl-2H-chromene-6-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2H-chromene-6-carboxylic acid is sourced from PubChem (CID 174747813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).