1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one

C28H20O4 — CID 10574142

IUPAC1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2C(C(=O)Cc2ccc(-c3ccccc3)cc2)c2cccc(O)c21
InChIInChI=1S/C28H20O4/c29-22-10-4-8-20-25(21-9-5-11-23(30)27(21)28(32)26(20)22)24(31)16-17-12-14-19(15-13-17)18-6-2-1-3-7-18/h1-15,25,29-30H,16H2
InChIKeyDHAYFOWCZQWXMF-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.25
Rot. Bonds4

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

1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one (PubChem CID 10574142) has the molecular formula C28H20O4 and a molecular weight of 420.46 g/mol. Its IUPAC name is 1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one
PubChem CID10574142
Molecular FormulaC28H20O4
Molecular Weight420.46 g/mol
Exact Mass420.14
IUPAC Name1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2C(C(=O)Cc2ccc(-c3ccccc3)cc2)c2cccc(O)c21
InChIInChI=1S/C28H20O4/c29-22-10-4-8-20-25(21-9-5-11-23(30)27(21)28(32)26(20)22)24(31)16-17-12-14-19(15-13-17)18-6-2-1-3-7-18/h1-15,25,29-30H,16H2
InChIKeyDHAYFOWCZQWXMF-UHFFFAOYSA-N
XLogP5.25
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one?
The IUPAC name of 1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one (CID 10574142) is 1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one.
What is the SMILES notation for 1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one?
The canonical SMILES for 1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one is O=C1c2c(O)cccc2C(C(=O)Cc2ccc(-c3ccccc3)cc2)c2cccc(O)c21.
What is the InChIKey of 1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one?
The InChIKey is DHAYFOWCZQWXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O4/c29-22-10-4-8-20-25(21-9-5-11-23(30)27(21)28(32)26(20)22)24(31)16-17-12-14-19(15-13-17)18-6-2-1-3-7-18/h1-15,25,29-30H,16H2.
What are the key properties of 1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one?
1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one has a molecular weight of 420.46 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-10-[2-(4-phenylphenyl)acetyl]-10H-anthracen-9-one is sourced from PubChem (CID 10574142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).