10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one

C22H16O5 — CID 23208590

IUPAC10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one
SMILESCC(=O)C1c2cccc(O)c2C(=O)c2c1ccc(-c1ccc(O)cc1)c2O
InChIInChI=1S/C22H16O5/c1-11(23)18-15-3-2-4-17(25)19(15)22(27)20-16(18)10-9-14(21(20)26)12-5-7-13(24)8-6-12/h2-10,18,24-26H,1H3
InChIKeyHFBAGCXEINTKEN-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.74
Rot. Bonds2

About 10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one

10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one (PubChem CID 23208590) has the molecular formula C22H16O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one.

Molecular Properties

Compound Name10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one
PubChem CID23208590
Molecular FormulaC22H16O5
Molecular Weight360.37 g/mol
Exact Mass360.10
IUPAC Name10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one
SMILESCC(=O)C1c2cccc(O)c2C(=O)c2c1ccc(-c1ccc(O)cc1)c2O
InChIInChI=1S/C22H16O5/c1-11(23)18-15-3-2-4-17(25)19(15)22(27)20-16(18)10-9-14(21(20)26)12-5-7-13(24)8-6-12/h2-10,18,24-26H,1H3
InChIKeyHFBAGCXEINTKEN-UHFFFAOYSA-N
XLogP3.74
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-1-oxopropan-2-yl]azanium chloride
CID 10711734
1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one
CID 10574142
2-[4-[2-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-2-oxoethyl]phenyl]acetic acid
CID 10525136
2,3-dihydroxy-9-(4-hydroxyphenyl)-2,3-dihydrophenalen-1-one
CID 10804574
5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione
CID 174915841
10-(4,5-dihydroxy-2-methoxy-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-3-methoxy-10H-anthracen-9-one
CID 162871582
benzyl 4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobutanoate
CID 15107212
bis[3-hydroxy-2-(4-hydroxyphenyl)phenyl]methanone
CID 54463161
1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one
CID 10381114
2-acetyl-5-(2-acetyl-1,3-dioxoinden-5-yl)indene-1,3-dione
CID 163236892
1,8-dihydroxy-10-[2-(4-nitrophenyl)acetyl]-10H-anthracen-9-one
CID 10000385
10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one
CID 10529505

Frequently Asked Questions

What is the IUPAC name of 10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one?
The IUPAC name of 10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one (CID 23208590) is 10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one.
What is the SMILES notation for 10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one?
The canonical SMILES for 10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one is CC(=O)C1c2cccc(O)c2C(=O)c2c1ccc(-c1ccc(O)cc1)c2O.
What is the InChIKey of 10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one?
The InChIKey is HFBAGCXEINTKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O5/c1-11(23)18-15-3-2-4-17(25)19(15)22(27)20-16(18)10-9-14(21(20)26)12-5-7-13(24)8-6-12/h2-10,18,24-26H,1H3.
What are the key properties of 10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one?
10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one has a molecular weight of 360.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetyl-1,8-dihydroxy-2-(4-hydroxyphenyl)-10H-anthracen-9-one is sourced from PubChem (CID 23208590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).