2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one

C27H18O5 — CID 153408199

IUPAC2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one
SMILESCOc1cccc(-c2cc(C(=O)c3ccccc3O)cc3c(=O)c4ccccc4oc23)c1
InChIInChI=1S/C27H18O5/c1-31-18-8-6-7-16(13-18)21-14-17(25(29)19-9-2-4-11-23(19)28)15-22-26(30)20-10-3-5-12-24(20)32-27(21)22/h2-15,28H,1H3
InChIKeyHGWFIYYBQBKFKH-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.56
Rot. Bonds4

About 2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one

2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one (PubChem CID 153408199) has the molecular formula C27H18O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one.

Molecular Properties

Compound Name2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one
PubChem CID153408199
Molecular FormulaC27H18O5
Molecular Weight422.44 g/mol
Exact Mass422.12
IUPAC Name2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one
SMILESCOc1cccc(-c2cc(C(=O)c3ccccc3O)cc3c(=O)c4ccccc4oc23)c1
InChIInChI=1S/C27H18O5/c1-31-18-8-6-7-16(13-18)21-14-17(25(29)19-9-2-4-11-23(19)28)15-22-26(30)20-10-3-5-12-24(20)32-27(21)22/h2-15,28H,1H3
InChIKeyHGWFIYYBQBKFKH-UHFFFAOYSA-N
XLogP5.56
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.56
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

7-fluoro-2-(2-hydroxy-5-methoxybenzoyl)-4-phenylxanthen-9-one
CID 153408180
4-(3-methoxyphenyl)chromen-2-one
CID 10538749
[2-hydroxy-5-[12-(3-methoxyphenyl)chrysen-6-yl]phenyl]-phenylmethanone
CID 138600690
1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone
CID 177499752
(2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone
CID 155934139
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
9-(1-hydroxynaphthalene-2-carbonyl)-11-naphthalen-2-ylbenzo[c]xanthen-7-one
CID 153408196
5-[4-(dimethylamino)phenyl]-3-(2-hydroxybenzoyl)benzo[a]xanthen-12-one
CID 56946850
2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one
CID 66573994
ethyl 4-(4-methoxyphenyl)-9-oxo-3-phenylxanthene-2-carboxylate
CID 164686101
(4-hydroxyphenyl)-[2-(3-methoxyphenyl)naphthalen-1-yl]methanone
CID 19362229
N-(3-dibenzofuran-4-ylphenoxy)acetamide
CID 90962511

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one?
The IUPAC name of 2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one (CID 153408199) is 2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one.
What is the SMILES notation for 2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one?
The canonical SMILES for 2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one is COc1cccc(-c2cc(C(=O)c3ccccc3O)cc3c(=O)c4ccccc4oc23)c1.
What is the InChIKey of 2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one?
The InChIKey is HGWFIYYBQBKFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O5/c1-31-18-8-6-7-16(13-18)21-14-17(25(29)19-9-2-4-11-23(19)28)15-22-26(30)20-10-3-5-12-24(20)32-27(21)22/h2-15,28H,1H3.
What are the key properties of 2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one?
2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one has a molecular weight of 422.44 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one is sourced from PubChem (CID 153408199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).