1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one

C20H15NO3 — CID 10381114

IUPAC1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2C(Cc2ccncc2)c2cccc(O)c21
InChIInChI=1S/C20H15NO3/c22-16-5-1-3-13-15(11-12-7-9-21-10-8-12)14-4-2-6-17(23)19(14)20(24)18(13)16/h1-10,15,22-23H,11H2
InChIKeyCJUOVDQUHOAHEH-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.41
Rot. Bonds2

About 1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one

1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one (PubChem CID 10381114) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one
PubChem CID10381114
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2C(Cc2ccncc2)c2cccc(O)c21
InChIInChI=1S/C20H15NO3/c22-16-5-1-3-13-15(11-12-7-9-21-10-8-12)14-4-2-6-17(23)19(14)20(24)18(13)16/h1-10,15,22-23H,11H2
InChIKeyCJUOVDQUHOAHEH-UHFFFAOYSA-N
XLogP3.41
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one?
The IUPAC name of 1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one (CID 10381114) is 1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one.
What is the SMILES notation for 1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one?
The canonical SMILES for 1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one is O=C1c2c(O)cccc2C(Cc2ccncc2)c2cccc(O)c21.
What is the InChIKey of 1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one?
The InChIKey is CJUOVDQUHOAHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c22-16-5-1-3-13-15(11-12-7-9-21-10-8-12)14-4-2-6-17(23)19(14)20(24)18(13)16/h1-10,15,22-23H,11H2.
What are the key properties of 1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one?
1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one has a molecular weight of 317.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-10-(pyridin-4-ylmethyl)-10H-anthracen-9-one is sourced from PubChem (CID 10381114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).