6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one

C34H34O6 — CID 143310064

IUPAC6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one
SMILESCCCOc1cc(C(c2c(C)c3cc(CC)ccc3oc2=O)c2c(O)c3cc(CC)ccc3oc2=O)ccc1C
InChIInChI=1S/C34H34O6/c1-6-15-38-28-18-23(12-9-19(28)4)30(29-20(5)24-16-21(7-2)10-13-26(24)39-33(29)36)31-32(35)25-17-22(8-3)11-14-27(25)40-34(31)37/h9-14,16-18,30,35H,6-8,15H2,1-5H3
InChIKeyUIPYUVZLEMXNIM-UHFFFAOYSA-N
MW538.64 g/mol
LogP7.32
Rot. Bonds8

About 6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one

6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one (PubChem CID 143310064) has the molecular formula C34H34O6 and a molecular weight of 538.64 g/mol. Its IUPAC name is 6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one.

Molecular Properties

Compound Name6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one
PubChem CID143310064
Molecular FormulaC34H34O6
Molecular Weight538.64 g/mol
Exact Mass538.24
IUPAC Name6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one
SMILESCCCOc1cc(C(c2c(C)c3cc(CC)ccc3oc2=O)c2c(O)c3cc(CC)ccc3oc2=O)ccc1C
InChIInChI=1S/C34H34O6/c1-6-15-38-28-18-23(12-9-19(28)4)30(29-20(5)24-16-21(7-2)10-13-26(24)39-33(29)36)31-32(35)25-17-22(8-3)11-14-27(25)40-34(31)37/h9-14,16-18,30,35H,6-8,15H2,1-5H3
InChIKeyUIPYUVZLEMXNIM-UHFFFAOYSA-N
XLogP7.32
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.64
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-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

3-[(3-bromo-4-methylphenyl)-(6-fluoro-4-hydroxy-2-oxochromen-3-yl)methyl]-6-fluoro-4-methylchromen-2-one
CID 143310034
6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-quinolin-3-ylmethyl]-4-hydroxychromen-2-one
CID 59746720
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(3-propoxyphenyl)methyl]chromen-2-one
CID 139833895
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
3-[1-(4-ethylphenyl)butyl]-4-hydroxychromen-2-one
CID 54724918
7-ethyl-4-methyl-3-(3-methylbutan-2-yl)chromen-2-one
CID 91500291
propyl 3-(4-hydroxy-2-oxochromen-3-yl)-3-phenylpropanoate
CID 87781345
3-[[4-(2-fluoroethoxy)phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
CID 134091551
6-fluoro-3-[(6-fluoro-4-hydroxy-2-oxochromen-3-yl)-(4-propan-2-yloxyphenyl)methyl]-4-hydroxychromen-2-one
CID 59746676
6-chloro-3-[(6-chloro-4-hydroxy-2-oxochromen-3-yl)-quinolin-4-ylmethyl]-4-methylchromen-2-one
CID 143309916
3-[(3,4-dihydroxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
CID 54695589
ethane;6-ethyl-3-[1-(6-ethyl-2-oxochromen-4-yl)oxyethenyl]-4-hydroxychromen-2-one
CID 142991566

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one?
The IUPAC name of 6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one (CID 143310064) is 6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one.
What is the SMILES notation for 6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one?
The canonical SMILES for 6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one is CCCOc1cc(C(c2c(C)c3cc(CC)ccc3oc2=O)c2c(O)c3cc(CC)ccc3oc2=O)ccc1C.
What is the InChIKey of 6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one?
The InChIKey is UIPYUVZLEMXNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O6/c1-6-15-38-28-18-23(12-9-19(28)4)30(29-20(5)24-16-21(7-2)10-13-26(24)39-33(29)36)31-32(35)25-17-22(8-3)11-14-27(25)40-34(31)37/h9-14,16-18,30,35H,6-8,15H2,1-5H3.
What are the key properties of 6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one?
6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one has a molecular weight of 538.64 g/mol, XLogP of 7.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-(4-methyl-3-propoxyphenyl)methyl]-4-methylchromen-2-one is sourced from PubChem (CID 143310064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).