7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one

C17H16O5 — CID 151514268

IUPAC7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one
SMILESCOC1(c2ccc(O)cc2)COc2c(ccc(O)c2C)C1=O
InChIInChI=1S/C17H16O5/c1-10-14(19)8-7-13-15(10)22-9-17(21-2,16(13)20)11-3-5-12(18)6-4-11/h3-8,18-19H,9H2,1-2H3
InChIKeyPTCXECAEZNBIIW-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.52
Rot. Bonds2

About 7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one

7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one (PubChem CID 151514268) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one
PubChem CID151514268
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one
SMILESCOC1(c2ccc(O)cc2)COc2c(ccc(O)c2C)C1=O
InChIInChI=1S/C17H16O5/c1-10-14(19)8-7-13-15(10)22-9-17(21-2,16(13)20)11-3-5-12(18)6-4-11/h3-8,18-19H,9H2,1-2H3
InChIKeyPTCXECAEZNBIIW-UHFFFAOYSA-N
XLogP2.52
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one?
The IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one (CID 151514268) is 7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one is COC1(c2ccc(O)cc2)COc2c(ccc(O)c2C)C1=O.
What is the InChIKey of 7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one?
The InChIKey is PTCXECAEZNBIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-10-14(19)8-7-13-15(10)22-9-17(21-2,16(13)20)11-3-5-12(18)6-4-11/h3-8,18-19H,9H2,1-2H3.
What are the key properties of 7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one?
7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one has a molecular weight of 300.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxyphenyl)-3-methoxy-8-methyl-2H-chromen-4-one is sourced from PubChem (CID 151514268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).