8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one

C20H22O5 — CID 11638718

IUPAC8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCCc1c(OC)cc(OC)c2c1OC(=O)CC2c1ccc(OC)cc1
InChIInChI=1S/C20H22O5/c1-5-14-16(23-3)11-17(24-4)19-15(10-18(21)25-20(14)19)12-6-8-13(22-2)9-7-12/h6-9,11,15H,5,10H2,1-4H3
InChIKeyXVQGYVCUOOLHHM-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.72
Rot. Bonds5

About 8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one

8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one (PubChem CID 11638718) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
PubChem CID11638718
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCCc1c(OC)cc(OC)c2c1OC(=O)CC2c1ccc(OC)cc1
InChIInChI=1S/C20H22O5/c1-5-14-16(23-3)11-17(24-4)19-15(10-18(21)25-20(14)19)12-6-8-13(22-2)9-7-12/h6-9,11,15H,5,10H2,1-4H3
InChIKeyXVQGYVCUOOLHHM-UHFFFAOYSA-N
XLogP3.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
(4S)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 71533318
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11460348
6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 44601497
7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one
CID 102427491
4-(4-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71755298
4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one
CID 101418237
(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 132547002
(4S)-5,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540112
(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 101014337
6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 163355823

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
The IUPAC name of 8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one (CID 11638718) is 8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one is CCc1c(OC)cc(OC)c2c1OC(=O)CC2c1ccc(OC)cc1.
What is the InChIKey of 8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
The InChIKey is XVQGYVCUOOLHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-5-14-16(23-3)11-17(24-4)19-15(10-18(21)25-20(14)19)12-6-8-13(22-2)9-7-12/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of 8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one has a molecular weight of 342.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 11638718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).