2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one

C24H28O6 — CID 159111191

IUPAC2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
SMILESCCC[C@@H](O)COc1c(C)cc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1C
InChIInChI=1S/C24H28O6/c1-6-7-17(25)13-29-24-14(2)8-16(9-15(24)3)20-12-19(26)23-21(28-5)10-18(27-4)11-22(23)30-20/h8-12,17,25H,6-7,13H2,1-5H3/t17-/m1/s1
InChIKeyVOKBSZJVTSFRMG-QGZVFWFLSA-N
MW412.48 g/mol
LogP4.63
Rot. Bonds8

About 2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one

2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one (PubChem CID 159111191) has the molecular formula C24H28O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is 2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
PubChem CID159111191
Molecular FormulaC24H28O6
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Name2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
SMILESCCC[C@@H](O)COc1c(C)cc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1C
InChIInChI=1S/C24H28O6/c1-6-7-17(25)13-29-24-14(2)8-16(9-15(24)3)20-12-19(26)23-21(28-5)10-18(27-4)11-22(23)30-20/h8-12,17,25H,6-7,13H2,1-5H3/t17-/m1/s1
InChIKeyVOKBSZJVTSFRMG-QGZVFWFLSA-N
XLogP4.63
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
CID 135126546
2-[4-[(2R)-3-(4,4-difluoropiperidin-1-yl)-2-hydroxypropoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one;2-[3,5-dimethyl-4-[[(2R)-oxiran-2-yl]methoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 159039677
2-[3,5-dimethyl-4-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dimethoxychromen-4-one
CID 135144046
2-[3,5-dimethyl-4-(3-piperazin-1-ylpropoxy)phenyl]-5,7-dimethoxychromen-4-one
CID 142378937
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 72703441
5-[2-hydroxy-3-[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl]oxypropoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 13302213
2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one
CID 130230703
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one
CID 19049226
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one?
The IUPAC name of 2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one (CID 159111191) is 2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one?
The canonical SMILES for 2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one is CCC[C@@H](O)COc1c(C)cc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1C.
What is the InChIKey of 2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one?
The InChIKey is VOKBSZJVTSFRMG-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28O6/c1-6-7-17(25)13-29-24-14(2)8-16(9-15(24)3)20-12-19(26)23-21(28-5)10-18(27-4)11-22(23)30-20/h8-12,17,25H,6-7,13H2,1-5H3/t17-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one?
2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one has a molecular weight of 412.48 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 159111191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).