7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one

C20H18O4 — CID 122394788

IUPAC7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one
SMILESCc1ccc2c(c1)OC(=O)CC2C1CC(=O)Oc2cc(C)ccc21
InChIInChI=1S/C20H18O4/c1-11-3-5-13-15(9-19(21)23-17(13)7-11)16-10-20(22)24-18-8-12(2)4-6-14(16)18/h3-8,15-16H,9-10H2,1-2H3
InChIKeyJMQGXFYFIPRTRA-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.79
Rot. Bonds1

About 7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one

7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one (PubChem CID 122394788) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one
PubChem CID122394788
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one
SMILESCc1ccc2c(c1)OC(=O)CC2C1CC(=O)Oc2cc(C)ccc21
InChIInChI=1S/C20H18O4/c1-11-3-5-13-15(9-19(21)23-17(13)7-11)16-10-20(22)24-18-8-12(2)4-6-14(16)18/h3-8,15-16H,9-10H2,1-2H3
InChIKeyJMQGXFYFIPRTRA-UHFFFAOYSA-N
XLogP3.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one 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

(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 101014337
(4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one
CID 134944434
7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one
CID 163209041
(4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one
CID 139189482
3-(7-methyl-3-methylidene-1-oxo-3a,4,5,9b-tetrahydrobenzo[e][2]benzofuran-5-yl)oxolane-2,5-dione
CID 175634502
6-methyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013062
3-(3-methylphenyl)oxolane-2,5-dione
CID 71683747
7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one
CID 175219385
6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one
CID 11745468
8-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
CID 91637670
7-hydroxy-2-oxo-3,4-dihydrochromene-4-carboxylic acid
CID 70676635
7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
CID 78101646

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one?
The IUPAC name of 7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one (CID 122394788) is 7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one is Cc1ccc2c(c1)OC(=O)CC2C1CC(=O)Oc2cc(C)ccc21.
What is the InChIKey of 7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one?
The InChIKey is JMQGXFYFIPRTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-11-3-5-13-15(9-19(21)23-17(13)7-11)16-10-20(22)24-18-8-12(2)4-6-14(16)18/h3-8,15-16H,9-10H2,1-2H3.
What are the key properties of 7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one?
7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one has a molecular weight of 322.36 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 122394788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).