5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one

C44H32O7 — CID 66878364

IUPAC5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)c(OCc3ccccc3)c(O)c12.O=c1cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C29H22O5.C15H10O2/c30-23-16-24(22-14-8-3-9-15-22)34-25-17-26(32-18-20-10-4-1-5-11-20)29(28(31)27(23)25)33-19-21-12-6-2-7-13-21;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-17,31H,18-19H2;1-10H
InChIKeyTVDQIAJKIZIBRW-UHFFFAOYSA-N
MW672.73 g/mol
LogP9.78
Rot. Bonds8

About 5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one

5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one (PubChem CID 66878364) has the molecular formula C44H32O7 and a molecular weight of 672.73 g/mol. Its IUPAC name is 5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one
PubChem CID66878364
Molecular FormulaC44H32O7
Molecular Weight672.73 g/mol
Exact Mass672.21
IUPAC Name5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)c(OCc3ccccc3)c(O)c12.O=c1cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C29H22O5.C15H10O2/c30-23-16-24(22-14-8-3-9-15-22)34-25-17-26(32-18-20-10-4-1-5-11-20)29(28(31)27(23)25)33-19-21-12-6-2-7-13-21;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-17,31H,18-19H2;1-10H
InChIKeyTVDQIAJKIZIBRW-UHFFFAOYSA-N
XLogP9.78
TPSA99.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.73
LogP ≤ 59.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one
CID 56649004
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
7-hexoxy-2-phenyl-5,6-bis(phenylmethoxy)chromen-4-one
CID 56649089
2-phenylchromen-4-one
CID 90124083
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate
CID 141463684
copper;2-phenylchromen-4-one
CID 175169427
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one?
The IUPAC name of 5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one (CID 66878364) is 5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one.
What is the SMILES notation for 5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one?
The canonical SMILES for 5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)c(OCc3ccccc3)c(O)c12.O=c1cc(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one?
The InChIKey is TVDQIAJKIZIBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O5.C15H10O2/c30-23-16-24(22-14-8-3-9-15-22)34-25-17-26(32-18-20-10-4-1-5-11-20)29(28(31)27(23)25)33-19-21-12-6-2-7-13-21;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-17,31H,18-19H2;1-10H.
What are the key properties of 5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one?
5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one has a molecular weight of 672.73 g/mol, XLogP of 9.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one is sourced from PubChem (CID 66878364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).