7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one

C17H14O4 — CID 10708015

IUPAC7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
SMILESCOc1ccc(Cc2cc(=O)c3ccc(O)cc3o2)cc1
InChIInChI=1S/C17H14O4/c1-20-13-5-2-11(3-6-13)8-14-10-16(19)15-7-4-12(18)9-17(15)21-14/h2-7,9-10,18H,8H2,1H3
InChIKeySKFOCRVUNCGDHR-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.10
Rot. Bonds3

About 7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one

7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one (PubChem CID 10708015) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
PubChem CID10708015
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
SMILESCOc1ccc(Cc2cc(=O)c3ccc(O)cc3o2)cc1
InChIInChI=1S/C17H14O4/c1-20-13-5-2-11(3-6-13)8-14-10-16(19)15-7-4-12(18)9-17(15)21-14/h2-7,9-10,18H,8H2,1H3
InChIKeySKFOCRVUNCGDHR-UHFFFAOYSA-N
XLogP3.10
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one?
The IUPAC name of 7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one (CID 10708015) is 7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one?
The canonical SMILES for 7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one is COc1ccc(Cc2cc(=O)c3ccc(O)cc3o2)cc1.
What is the InChIKey of 7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one?
The InChIKey is SKFOCRVUNCGDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-20-13-5-2-11(3-6-13)8-14-10-16(19)15-7-4-12(18)9-17(15)21-14/h2-7,9-10,18H,8H2,1H3.
What are the key properties of 7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one?
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one is sourced from PubChem (CID 10708015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).