5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one

C23H18O5 — CID 127039057

IUPAC5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
SMILESCOc1cc2oc(-c3ccc(-c4ccccc4)cc3)cc(=O)c2c(O)c1OC
InChIInChI=1S/C23H18O5/c1-26-20-13-19-21(22(25)23(20)27-2)17(24)12-18(28-19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,25H,1-2H3
InChIKeyIDCSAYMBOPFBGS-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.85
Rot. Bonds4

About 5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one

5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one (PubChem CID 127039057) has the molecular formula C23H18O5 and a molecular weight of 374.39 g/mol. Its IUPAC name is 5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
PubChem CID127039057
Molecular FormulaC23H18O5
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
SMILESCOc1cc2oc(-c3ccc(-c4ccccc4)cc3)cc(=O)c2c(O)c1OC
InChIInChI=1S/C23H18O5/c1-26-20-13-19-21(22(25)23(20)27-2)17(24)12-18(28-19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,25H,1-2H3
InChIKeyIDCSAYMBOPFBGS-UHFFFAOYSA-N
XLogP4.85
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate
CID 141463684
(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate
CID 58966182
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
5-hydroxy-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one
CID 57398925
5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
CID 142727332
5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one
CID 10477206
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 71665818
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
2-[4-[4-[ethyl-[(2-methoxyphenyl)methyl]amino]butoxy]phenyl]-5-hydroxy-6,7-dimethoxychromen-4-one
CID 122177820

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one?
The IUPAC name of 5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one (CID 127039057) is 5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one.
What is the SMILES notation for 5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one?
The canonical SMILES for 5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one is COc1cc2oc(-c3ccc(-c4ccccc4)cc3)cc(=O)c2c(O)c1OC.
What is the InChIKey of 5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one?
The InChIKey is IDCSAYMBOPFBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O5/c1-26-20-13-19-21(22(25)23(20)27-2)17(24)12-18(28-19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,25H,1-2H3.
What are the key properties of 5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one?
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one has a molecular weight of 374.39 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one is sourced from PubChem (CID 127039057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).