4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one

C25H26O7 — CID 71507391

IUPAC4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one
SMILESCOC1=CC(=O)C=C(OC)C1(O)CCC(=O)c1ccc(OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26O7/c1-29-20-8-4-17(5-9-20)16-32-21-10-6-18(7-11-21)22(27)12-13-25(28)23(30-2)14-19(26)15-24(25)31-3/h4-11,14-15,28H,12-13,16H2,1-3H3
InChIKeyFWYQNRYHXLNKOI-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.61
Rot. Bonds10

About 4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one

4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one (PubChem CID 71507391) has the molecular formula C25H26O7 and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one
PubChem CID71507391
Molecular FormulaC25H26O7
Molecular Weight438.48 g/mol
Exact Mass438.17
IUPAC Name4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one
SMILESCOC1=CC(=O)C=C(OC)C1(O)CCC(=O)c1ccc(OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26O7/c1-29-20-8-4-17(5-9-20)16-32-21-10-6-18(7-11-21)22(27)12-13-25(28)23(30-2)14-19(26)15-24(25)31-3/h4-11,14-15,28H,12-13,16H2,1-3H3
InChIKeyFWYQNRYHXLNKOI-UHFFFAOYSA-N
XLogP3.61
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
benzyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 14321218
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 170162201
1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one
CID 163833634
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one (CID 71507391) is 4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one is COC1=CC(=O)C=C(OC)C1(O)CCC(=O)c1ccc(OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one?
The InChIKey is FWYQNRYHXLNKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O7/c1-29-20-8-4-17(5-9-20)16-32-21-10-6-18(7-11-21)22(27)12-13-25(28)23(30-2)14-19(26)15-24(25)31-3/h4-11,14-15,28H,12-13,16H2,1-3H3.
What are the key properties of 4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one?
4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one has a molecular weight of 438.48 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethoxy-4-[3-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropyl]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 71507391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).