2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one

C22H18O5 — CID 46844185

IUPAC2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one
SMILESCOc1cc(OC)c2c(O)c3c(=O)cc(Cc4ccccc4)oc3cc2c1
InChIInChI=1S/C22H18O5/c1-25-15-9-14-10-19-21(22(24)20(14)18(12-15)26-2)17(23)11-16(27-19)8-13-6-4-3-5-7-13/h3-7,9-12,24H,8H2,1-2H3
InChIKeyLSWQVEMBAYSPJE-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.26
Rot. Bonds4

About 2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one

2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one (PubChem CID 46844185) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one.

Molecular Properties

Compound Name2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one
PubChem CID46844185
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one
SMILESCOc1cc(OC)c2c(O)c3c(=O)cc(Cc4ccccc4)oc3cc2c1
InChIInChI=1S/C22H18O5/c1-25-15-9-14-10-19-21(22(24)20(14)18(12-15)26-2)17(23)11-16(27-19)8-13-6-4-3-5-7-13/h3-7,9-12,24H,8H2,1-2H3
InChIKeyLSWQVEMBAYSPJE-UHFFFAOYSA-N
XLogP4.26
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 11822088
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CID 127045296
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
CID 10708015
6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one
CID 139587610
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CID 127042921
2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
CID 141293952
7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one
CID 102527760
2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one
CID 22906521
2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one
CID 126484702
1,3,8-trimethoxy-6-methylanthracen-9-ol
CID 11033842
4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
CID 54749855
benzyl 5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carboxylate
CID 134911539

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one?
The IUPAC name of 2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one (CID 46844185) is 2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one.
What is the SMILES notation for 2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one?
The canonical SMILES for 2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one is COc1cc(OC)c2c(O)c3c(=O)cc(Cc4ccccc4)oc3cc2c1.
What is the InChIKey of 2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one?
The InChIKey is LSWQVEMBAYSPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-25-15-9-14-10-19-21(22(24)20(14)18(12-15)26-2)17(23)11-16(27-19)8-13-6-4-3-5-7-13/h3-7,9-12,24H,8H2,1-2H3.
What are the key properties of 2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one?
2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one has a molecular weight of 362.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-hydroxy-6,8-dimethoxybenzo[g]chromen-4-one is sourced from PubChem (CID 46844185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).