5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one

C29H24O5 — CID 54587409

IUPAC5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(OCc3ccccc3)cc2)Oc2cc(OCc3ccccc3)cc(O)c21
InChIInChI=1S/C29H24O5/c30-25-15-24(33-19-21-9-5-2-6-10-21)16-28-29(25)26(31)17-27(34-28)22-11-13-23(14-12-22)32-18-20-7-3-1-4-8-20/h1-16,27,30H,17-19H2
InChIKeyRUIUQBLRWISPRZ-UHFFFAOYSA-N
MW452.51 g/mol
LogP6.26
Rot. Bonds7

About 5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one

5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 54587409) has the molecular formula C29H24O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID54587409
Molecular FormulaC29H24O5
Molecular Weight452.51 g/mol
Exact Mass452.16
IUPAC Name5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(OCc3ccccc3)cc2)Oc2cc(OCc3ccccc3)cc(O)c21
InChIInChI=1S/C29H24O5/c30-25-15-24(33-19-21-9-5-2-6-10-21)16-28-29(25)26(31)17-27(34-28)22-11-13-23(14-12-22)32-18-20-7-3-1-4-8-20/h1-16,27,30H,17-19H2
InChIKeyRUIUQBLRWISPRZ-UHFFFAOYSA-N
XLogP6.26
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122581168
[4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] benzoate
CID 169224026
(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
5-hydroxy-7-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one
CID 42608070
2-[3-methyl-4,5-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-2,3-dihydrochromen-4-one
CID 58757511
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
7-ethyl-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 143737118
(2S)-2-[4-[3-[(1-benzylpiperidin-4-yl)amino]-2-hydroxypropoxy]phenyl]-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 171345974
7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 138485078
(2S)-7-[(1-benzyltriazol-4-yl)methoxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162656646
(2S)-2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 171345011
(2R)-2-(3-hydroxy-4-methoxyphenyl)-4-(1-phenylethylimino)-7-phenylmethoxy-2,3-dihydrochromen-5-ol
CID 171379420

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one (CID 54587409) is 5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(OCc3ccccc3)cc2)Oc2cc(OCc3ccccc3)cc(O)c21.
What is the InChIKey of 5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is RUIUQBLRWISPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O5/c30-25-15-24(33-19-21-9-5-2-6-10-21)16-28-29(25)26(31)17-27(34-28)22-11-13-23(14-12-22)32-18-20-7-3-1-4-8-20/h1-16,27,30H,17-19H2.
What are the key properties of 5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one?
5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 452.51 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 54587409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).