1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one

C24H17NO4 — CID 10809973

IUPAC1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2C(C(=O)Cc2c[nH]c3ccccc23)c2cccc(O)c21
InChIInChI=1S/C24H17NO4/c26-18-9-3-6-15-21(16-7-4-10-19(27)23(16)24(29)22(15)18)20(28)11-13-12-25-17-8-2-1-5-14(13)17/h1-10,12,21,25-27H,11H2
InChIKeyDRECSSKVEJPEHL-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.07
Rot. Bonds3

About 1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one

1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one (PubChem CID 10809973) has the molecular formula C24H17NO4 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one
PubChem CID10809973
Molecular FormulaC24H17NO4
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2C(C(=O)Cc2c[nH]c3ccccc23)c2cccc(O)c21
InChIInChI=1S/C24H17NO4/c26-18-9-3-6-15-21(16-7-4-10-19(27)23(16)24(29)22(15)18)20(28)11-13-12-25-17-8-2-1-5-14(13)17/h1-10,12,21,25-27H,11H2
InChIKeyDRECSSKVEJPEHL-UHFFFAOYSA-N
XLogP4.07
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one?
The IUPAC name of 1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one (CID 10809973) is 1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one.
What is the SMILES notation for 1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one?
The canonical SMILES for 1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one is O=C1c2c(O)cccc2C(C(=O)Cc2c[nH]c3ccccc23)c2cccc(O)c21.
What is the InChIKey of 1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one?
The InChIKey is DRECSSKVEJPEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4/c26-18-9-3-6-15-21(16-7-4-10-19(27)23(16)24(29)22(15)18)20(28)11-13-12-25-17-8-2-1-5-14(13)17/h1-10,12,21,25-27H,11H2.
What are the key properties of 1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one?
1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one has a molecular weight of 383.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-10-[2-(1H-indol-3-yl)acetyl]-10H-anthracen-9-one is sourced from PubChem (CID 10809973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).