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

C11H12O3 — CID 117051012

IUPAC8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESCc1cccc2c1OC(C(=O)O)CC2
InChIInChI=1S/C11H12O3/c1-7-3-2-4-8-5-6-9(11(12)13)14-10(7)8/h2-4,9H,5-6H2,1H3,(H,12,13)
InChIKeyFMWOKWTULUTLJV-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.77
Rot. Bonds1

About 8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid

8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid (PubChem CID 117051012) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Name8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID117051012
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESCc1cccc2c1OC(C(=O)O)CC2
InChIInChI=1S/C11H12O3/c1-7-3-2-4-8-5-6-9(11(12)13)14-10(7)8/h2-4,9H,5-6H2,1H3,(H,12,13)
InChIKeyFMWOKWTULUTLJV-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-methyl-3,4-dihydro-2H-chromene-2-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-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid?
The IUPAC name of 8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid (CID 117051012) is 8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid.
What is the SMILES notation for 8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid?
The canonical SMILES for 8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid is Cc1cccc2c1OC(C(=O)O)CC2.
What is the InChIKey of 8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid?
The InChIKey is FMWOKWTULUTLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7-3-2-4-8-5-6-9(11(12)13)14-10(7)8/h2-4,9H,5-6H2,1H3,(H,12,13).
What are the key properties of 8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid?
8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 117051012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).