7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one

C20H20O4 — CID 167497899

IUPAC7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
SMILESCOCC(C)Oc1ccc2c(-c3ccccc3C)cc(=O)oc2c1
InChIInChI=1S/C20H20O4/c1-13-6-4-5-7-16(13)18-11-20(21)24-19-10-15(8-9-17(18)19)23-14(2)12-22-3/h4-11,14H,12H2,1-3H3
InChIKeyHHUAVKQPWLKOMB-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.18
Rot. Bonds5

About 7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one

7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one (PubChem CID 167497899) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one.

Molecular Properties

Compound Name7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
PubChem CID167497899
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
SMILESCOCC(C)Oc1ccc2c(-c3ccccc3C)cc(=O)oc2c1
InChIInChI=1S/C20H20O4/c1-13-6-4-5-7-16(13)18-11-20(21)24-19-10-15(8-9-17(18)19)23-14(2)12-22-3/h4-11,14H,12H2,1-3H3
InChIKeyHHUAVKQPWLKOMB-UHFFFAOYSA-N
XLogP4.18
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-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

7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one
CID 172878951
ethane;7-(1-methoxybutan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
CID 167497978
4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one
CID 167497973
ethyl 3-ethoxy-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoate
CID 167497930
2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide
CID 138490882
7-(1-hydroxyethyl)-4-(2-methylphenyl)chromen-2-one
CID 167498961
ethyl 2-methyl-3-[4-(2-methylphenyl)-2-oxochromen-7-yl]propanoate
CID 167499034
3-methoxy-N-methyl-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxyprop-2-enamide
CID 175853041
ethyl 2-[4-(2-fluorophenyl)-2-oxochromen-7-yl]oxypropanoate
CID 138490773
7-cyclopropyl-4-(2-methylphenyl)chromen-2-one
CID 167498753
2-methyl-3-[[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]propanoic acid
CID 167498679
(3R)-3-[[4-(2-methylphenyl)-2-oxochromen-7-yl]amino]butanoic acid
CID 167498989

Frequently Asked Questions

What is the IUPAC name of 7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one?
The IUPAC name of 7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one (CID 167497899) is 7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one.
What is the SMILES notation for 7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one?
The canonical SMILES for 7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one is COCC(C)Oc1ccc2c(-c3ccccc3C)cc(=O)oc2c1.
What is the InChIKey of 7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one?
The InChIKey is HHUAVKQPWLKOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-13-6-4-5-7-16(13)18-11-20(21)24-19-10-15(8-9-17(18)19)23-14(2)12-22-3/h4-11,14H,12H2,1-3H3.
What are the key properties of 7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one?
7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one has a molecular weight of 324.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one is sourced from PubChem (CID 167497899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).