1,2-diphenoxy-10H-anthracen-9-one

C26H18O3 — CID 23283730

IUPAC1,2-diphenoxy-10H-anthracen-9-one
SMILESO=C1c2ccccc2Cc2ccc(Oc3ccccc3)c(Oc3ccccc3)c21
InChIInChI=1S/C26H18O3/c27-25-22-14-8-7-9-18(22)17-19-15-16-23(28-20-10-3-1-4-11-20)26(24(19)25)29-21-12-5-2-6-13-21/h1-16H,17H2
InChIKeyFKTLHKUHHALGNI-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.41
Rot. Bonds4

About 1,2-diphenoxy-10H-anthracen-9-one

1,2-diphenoxy-10H-anthracen-9-one (PubChem CID 23283730) has the molecular formula C26H18O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1,2-diphenoxy-10H-anthracen-9-one.

Molecular Properties

Compound Name1,2-diphenoxy-10H-anthracen-9-one
PubChem CID23283730
Molecular FormulaC26H18O3
Molecular Weight378.43 g/mol
Exact Mass378.13
IUPAC Name1,2-diphenoxy-10H-anthracen-9-one
SMILESO=C1c2ccccc2Cc2ccc(Oc3ccccc3)c(Oc3ccccc3)c21
InChIInChI=1S/C26H18O3/c27-25-22-14-8-7-9-18(22)17-19-15-16-23(28-20-10-3-1-4-11-20)26(24(19)25)29-21-12-5-2-6-13-21/h1-16H,17H2
InChIKeyFKTLHKUHHALGNI-UHFFFAOYSA-N
XLogP6.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenoxy-10H-anthracen-9-one?
The IUPAC name of 1,2-diphenoxy-10H-anthracen-9-one (CID 23283730) is 1,2-diphenoxy-10H-anthracen-9-one.
What is the SMILES notation for 1,2-diphenoxy-10H-anthracen-9-one?
The canonical SMILES for 1,2-diphenoxy-10H-anthracen-9-one is O=C1c2ccccc2Cc2ccc(Oc3ccccc3)c(Oc3ccccc3)c21.
What is the InChIKey of 1,2-diphenoxy-10H-anthracen-9-one?
The InChIKey is FKTLHKUHHALGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O3/c27-25-22-14-8-7-9-18(22)17-19-15-16-23(28-20-10-3-1-4-11-20)26(24(19)25)29-21-12-5-2-6-13-21/h1-16H,17H2.
What are the key properties of 1,2-diphenoxy-10H-anthracen-9-one?
1,2-diphenoxy-10H-anthracen-9-one has a molecular weight of 378.43 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenoxy-10H-anthracen-9-one is sourced from PubChem (CID 23283730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).