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

C29H22O5 — CID 171061853

IUPAC6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)c(O)c(OCc3ccccc3)c12
InChIInChI=1S/C29H22O5/c30-23-16-24(22-14-8-3-9-15-22)34-25-17-26(32-18-20-10-4-1-5-11-20)28(31)29(27(23)25)33-19-21-12-6-2-7-13-21/h1-17,31H,18-19H2
InChIKeyCEUAGMRUFMXAHZ-UHFFFAOYSA-N
MW450.49 g/mol
LogP6.32
Rot. Bonds7

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

6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one (PubChem CID 171061853) has the molecular formula C29H22O5 and a molecular weight of 450.49 g/mol. Its IUPAC name is 6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one.

Molecular Properties

Compound Name6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
PubChem CID171061853
Molecular FormulaC29H22O5
Molecular Weight450.49 g/mol
Exact Mass450.15
IUPAC Name6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)c(O)c(OCc3ccccc3)c12
InChIInChI=1S/C29H22O5/c30-23-16-24(22-14-8-3-9-15-22)34-25-17-26(32-18-20-10-4-1-5-11-20)28(31)29(27(23)25)33-19-21-12-6-2-7-13-21/h1-17,31H,18-19H2
InChIKeyCEUAGMRUFMXAHZ-UHFFFAOYSA-N
XLogP6.32
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
5-hydroxy-2-phenyl-6,7-bis(phenylmethoxy)chromen-4-one;2-phenylchromen-4-one
CID 66878364
2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one
CID 56649004
7-hexoxy-2-phenyl-5,6-bis(phenylmethoxy)chromen-4-one
CID 56649089
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
5-(3-aminopropoxy)-6,7-dihydroxy-2-phenylchromen-4-one
CID 174923932
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
O-[4-(5,6-dimethoxy-4-oxo-7-phenylmethoxychromen-2-yl)phenyl] methanethioate
CID 19358648
5-(3-methylbut-2-enoxy)-2-phenyl-7-phenylmethoxychromen-4-one
CID 169002909
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one?
The IUPAC name of 6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one (CID 171061853) is 6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one.
What is the SMILES notation for 6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one?
The canonical SMILES for 6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)c(O)c(OCc3ccccc3)c12.
What is the InChIKey of 6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one?
The InChIKey is CEUAGMRUFMXAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O5/c30-23-16-24(22-14-8-3-9-15-22)34-25-17-26(32-18-20-10-4-1-5-11-20)28(31)29(27(23)25)33-19-21-12-6-2-7-13-21/h1-17,31H,18-19H2.
What are the key properties of 6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one?
6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one has a molecular weight of 450.49 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one is sourced from PubChem (CID 171061853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).