ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate

C20H20O5 — CID 11302231

IUPACethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate
SMILESCCOC(=O)C1(C)CC(=O)Oc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C20H20O5/c1-3-23-19(22)20(2)12-18(21)25-17-10-9-15(11-16(17)20)24-13-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3
InChIKeyLPHDLZIXXNMTHW-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.40
Rot. Bonds5

About ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate

ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate (PubChem CID 11302231) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate
PubChem CID11302231
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Nameethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate
SMILESCCOC(=O)C1(C)CC(=O)Oc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C20H20O5/c1-3-23-19(22)20(2)12-18(21)25-17-10-9-15(11-16(17)20)24-13-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3
InChIKeyLPHDLZIXXNMTHW-UHFFFAOYSA-N
XLogP3.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate 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

3,3-dimethyl-5-phenylmethoxy-1-benzofuran-2-one
CID 563751
5-phenylmethoxy-3H-1-benzofuran-2-one
CID 50887902
2-[(4,4-dimethyl-2-oxo-3H-chromen-6-yl)oxy]-N-propylacetamide
CID 126837449
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
CID 83988722
ethyl (3S)-3-amino-2-fluoro-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171250179
ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate
CID 135245038
9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,3-dimethyl-6-phenylmethoxy-4,9-dihydro-2H-xanthen-1-one
CID 139922828
ethyl 2-methyl-2-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propanoate
CID 23525929
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
ethyl 1-methyl-7-phenylmethoxy-3,4-dihydronaphthalene-2-carboxylate
CID 163766107

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate?
The IUPAC name of ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate (CID 11302231) is ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate is CCOC(=O)C1(C)CC(=O)Oc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate?
The InChIKey is LPHDLZIXXNMTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-3-23-19(22)20(2)12-18(21)25-17-10-9-15(11-16(17)20)24-13-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate?
ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-oxo-6-phenylmethoxy-3H-chromene-4-carboxylate is sourced from PubChem (CID 11302231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).