3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid

C15H16O4 — CID 154342214

IUPAC3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid
SMILESCC(=Cc1c(C)cc(C)c2c1C(=O)CCO2)C(=O)O
InChIInChI=1S/C15H16O4/c1-8-6-9(2)14-13(12(16)4-5-19-14)11(8)7-10(3)15(17)18/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyZBWWKAVMHYQPCD-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.76
Rot. Bonds2

About 3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid

3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid (PubChem CID 154342214) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid
PubChem CID154342214
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid
SMILESCC(=Cc1c(C)cc(C)c2c1C(=O)CCO2)C(=O)O
InChIInChI=1S/C15H16O4/c1-8-6-9(2)14-13(12(16)4-5-19-14)11(8)7-10(3)15(17)18/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyZBWWKAVMHYQPCD-UHFFFAOYSA-N
XLogP2.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic 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

delta9-Tetrahydrocannabinolic acid
CID 98523
5,6-Dimethylxanthenone-4-Acetic Acid
CID 123964
Isoxepac
CID 41448
Diffractaic Acid
CID 94870
Bermoprofen
CID 54204
6-{2-(2-Carboxy-ethyl)-3-[6-(4-oxo-8-propyl-chroman-7-yloxy)-hexyl]-phenoxy}-hexanoic acid
CID 9850974
Cannabinolic acid
CID 3081990
3-Methoxy-2-naphthoic acid
CID 70161
delta9-TETRAHYDROCANNABINOIC ACID B
CID 46889976
Barbatic acid
CID 167666
Pergillin
CID 44559765
Fpl 52791
CID 71716

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid?
The IUPAC name of 3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid (CID 154342214) is 3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid?
The canonical SMILES for 3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid is CC(=Cc1c(C)cc(C)c2c1C(=O)CCO2)C(=O)O.
What is the InChIKey of 3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid?
The InChIKey is ZBWWKAVMHYQPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-8-6-9(2)14-13(12(16)4-5-19-14)11(8)7-10(3)15(17)18/h6-7H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid?
3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 154342214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).