2-benzyl-5-hydroxy-7-methoxychromen-4-one

C17H14O4 — CID 11822088

IUPAC2-benzyl-5-hydroxy-7-methoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)cc(Cc3ccccc3)oc2c1
InChIInChI=1S/C17H14O4/c1-20-12-8-14(18)17-15(19)9-13(21-16(17)10-12)7-11-5-3-2-4-6-11/h2-6,8-10,18H,7H2,1H3
InChIKeyOMRQCZODXFAAMH-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.10
Rot. Bonds3

About 2-benzyl-5-hydroxy-7-methoxychromen-4-one

2-benzyl-5-hydroxy-7-methoxychromen-4-one (PubChem CID 11822088) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-benzyl-5-hydroxy-7-methoxychromen-4-one.

Molecular Properties

Compound Name2-benzyl-5-hydroxy-7-methoxychromen-4-one
PubChem CID11822088
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name2-benzyl-5-hydroxy-7-methoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)cc(Cc3ccccc3)oc2c1
InChIInChI=1S/C17H14O4/c1-20-12-8-14(18)17-15(19)9-13(21-16(17)10-12)7-11-5-3-2-4-6-11/h2-6,8-10,18H,7H2,1H3
InChIKeyOMRQCZODXFAAMH-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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Related Compounds

2-(3-benzyl-4,5-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 127045296
2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one
CID 46844185
5-hydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one
CID 15559079
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
CID 10708015
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
4,5-dihydroxy-7-methoxychromen-2-one
CID 82371903
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
CID 141293952
1,5-dihydroxy-3-methoxyxanthen-9-one
CID 5281651
2-(2-benzyl-4,5-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 127044661

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-hydroxy-7-methoxychromen-4-one?
The IUPAC name of 2-benzyl-5-hydroxy-7-methoxychromen-4-one (CID 11822088) is 2-benzyl-5-hydroxy-7-methoxychromen-4-one.
What is the SMILES notation for 2-benzyl-5-hydroxy-7-methoxychromen-4-one?
The canonical SMILES for 2-benzyl-5-hydroxy-7-methoxychromen-4-one is COc1cc(O)c2c(=O)cc(Cc3ccccc3)oc2c1.
What is the InChIKey of 2-benzyl-5-hydroxy-7-methoxychromen-4-one?
The InChIKey is OMRQCZODXFAAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-20-12-8-14(18)17-15(19)9-13(21-16(17)10-12)7-11-5-3-2-4-6-11/h2-6,8-10,18H,7H2,1H3.
What are the key properties of 2-benzyl-5-hydroxy-7-methoxychromen-4-one?
2-benzyl-5-hydroxy-7-methoxychromen-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 2-benzyl-5-hydroxy-7-methoxychromen-4-one is sourced from PubChem (CID 11822088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).