1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one

C23H20O4 — CID 132522594

IUPAC1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one
SMILESCOc1cccc2oc3c(O)c(C(=O)C(C)C)cc(-c4ccccc4)c3c12
InChIInChI=1S/C23H20O4/c1-13(2)21(24)16-12-15(14-8-5-4-6-9-14)19-20-17(26-3)10-7-11-18(20)27-23(19)22(16)25/h4-13,25H,1-3H3
InChIKeyRTOWUEPQBUJFKR-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.81
Rot. Bonds4

About 1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one

1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one (PubChem CID 132522594) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one
PubChem CID132522594
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one
SMILESCOc1cccc2oc3c(O)c(C(=O)C(C)C)cc(-c4ccccc4)c3c12
InChIInChI=1S/C23H20O4/c1-13(2)21(24)16-12-15(14-8-5-4-6-9-14)19-20-17(26-3)10-7-11-18(20)27-23(19)22(16)25/h4-13,25H,1-3H3
InChIKeyRTOWUEPQBUJFKR-UHFFFAOYSA-N
XLogP5.81
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-phenylmethanone
CID 132522589
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
1-methoxy-4-phenylnaphtho[2,3-b][1]benzofuran
CID 167077293
4-methoxy-3-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 84697441
2-methyl-1-(7-phenyl-1-benzofuran-2-yl)propan-1-one
CID 65426129
5-fluoro-2-methoxy-4-phenylbenzoic acid
CID 170991634
[4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-7-phenylchromen-6-yl] 2-methylpropanoate
CID 44915623
1-hydroxy-3,4,8-trimethoxyxanthen-9-one
CID 162882586
3,4-dihydroxy-1-methoxyxanthen-9-one
CID 86220474
2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid
CID 169002902
4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
CID 54749855
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one (CID 132522594) is 1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one is COc1cccc2oc3c(O)c(C(=O)C(C)C)cc(-c4ccccc4)c3c12.
What is the InChIKey of 1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one?
The InChIKey is RTOWUEPQBUJFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-13(2)21(24)16-12-15(14-8-5-4-6-9-14)19-20-17(26-3)10-7-11-18(20)27-23(19)22(16)25/h4-13,25H,1-3H3.
What are the key properties of 1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one?
1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one has a molecular weight of 360.41 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-9-methoxy-1-phenyldibenzofuran-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 132522594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).