5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one

C26H32O8 — CID 170011203

IUPAC5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCCCC(C)(C)Oc1c(-c2cc(OC)c(OC)c(OC)c2)oc2cc(OC)cc(OC)c2c1=O
InChIInChI=1S/C26H32O8/c1-9-10-26(2,3)34-25-22(27)21-17(29-5)13-16(28-4)14-18(21)33-23(25)15-11-19(30-6)24(32-8)20(12-15)31-7/h11-14H,9-10H2,1-8H3
InChIKeyTUGDRFCQYZWZQM-UHFFFAOYSA-N
MW472.53 g/mol
LogP5.46
Rot. Bonds10

About 5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one

5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one (PubChem CID 170011203) has the molecular formula C26H32O8 and a molecular weight of 472.53 g/mol. Its IUPAC name is 5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID170011203
Molecular FormulaC26H32O8
Molecular Weight472.53 g/mol
Exact Mass472.21
IUPAC Name5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCCCC(C)(C)Oc1c(-c2cc(OC)c(OC)c(OC)c2)oc2cc(OC)cc(OC)c2c1=O
InChIInChI=1S/C26H32O8/c1-9-10-26(2,3)34-25-22(27)21-17(29-5)13-16(28-4)14-18(21)33-23(25)15-11-19(30-6)24(32-8)20(12-15)31-7/h11-14H,9-10H2,1-8H3
InChIKeyTUGDRFCQYZWZQM-UHFFFAOYSA-N
XLogP5.46
TPSA85.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one
CID 97032110
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
[5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-3-yl] 3-(trifluoromethoxy)benzenesulfonate
CID 175124931
3-[1-(6-chloro-3-pyridinyl)pentan-2-yloxy]-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 174051115
3-[1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butoxy]-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 155776413
7-chloro-3-[4-[5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-3-yl]oxybutyl]quinazolin-4-one
CID 175398991
2-(3,4-dimethoxyphenyl)-3-(3-hydroxypropoxy)-5,7-dimethoxychromen-4-one
CID 101179168
5,7-dimethoxy-3-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 175510183
3-[3-[5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-3-yl]oxypropyl]-8-methylquinazolin-4-one
CID 175398986
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one
CID 59838501
3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 12532439
3-[3-[2-(3-fluorophenyl)-1,3-dihydrobenzimidazol-2-yl]propoxy]-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 175086256

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one (CID 170011203) is 5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one is CCCC(C)(C)Oc1c(-c2cc(OC)c(OC)c(OC)c2)oc2cc(OC)cc(OC)c2c1=O.
What is the InChIKey of 5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The InChIKey is TUGDRFCQYZWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O8/c1-9-10-26(2,3)34-25-22(27)21-17(29-5)13-16(28-4)14-18(21)33-23(25)15-11-19(30-6)24(32-8)20(12-15)31-7/h11-14H,9-10H2,1-8H3.
What are the key properties of 5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one has a molecular weight of 472.53 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-(2-methylpentan-2-yloxy)-2-(3,4,5-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 170011203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).