3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid

C11H12O3 — CID 104524716

IUPAC3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid
SMILESCC1COc2ccccc2C1C(=O)O
InChIInChI=1S/C11H12O3/c1-7-6-14-9-5-3-2-4-8(9)10(7)11(12)13/h2-5,7,10H,6H2,1H3,(H,12,13)
InChIKeyTWCPHIMFILAPOL-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.88
Rot. Bonds1

About 3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid

3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid (PubChem CID 104524716) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid
PubChem CID104524716
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid
SMILESCC1COc2ccccc2C1C(=O)O
InChIInChI=1S/C11H12O3/c1-7-6-14-9-5-3-2-4-8(9)10(7)11(12)13/h2-5,7,10H,6H2,1H3,(H,12,13)
InChIKeyTWCPHIMFILAPOL-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-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 3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid?
The IUPAC name of 3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid (CID 104524716) is 3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid is CC1COc2ccccc2C1C(=O)O.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid?
The InChIKey is TWCPHIMFILAPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7-6-14-9-5-3-2-4-8(9)10(7)11(12)13/h2-5,7,10H,6H2,1H3,(H,12,13).
What are the key properties of 3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid?
3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-chromene-4-carboxylic acid is sourced from PubChem (CID 104524716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).