10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one

C24H20O2 — CID 129105725

IUPAC10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one
SMILESC=C(C)COC1(c2ccccc2)c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C24H20O2/c1-17(2)16-26-24(18-10-4-3-5-11-18)21-14-8-6-12-19(21)23(25)20-13-7-9-15-22(20)24/h3-15H,1,16H2,2H3
InChIKeySSHTVFOHUXAYEF-UHFFFAOYSA-N
MW340.42 g/mol
LogP5.12
Rot. Bonds4

About 10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one

10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one (PubChem CID 129105725) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one.

Molecular Properties

Compound Name10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one
PubChem CID129105725
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one
SMILESC=C(C)COC1(c2ccccc2)c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C24H20O2/c1-17(2)16-26-24(18-10-4-3-5-11-18)21-14-8-6-12-19(21)23(25)20-13-7-9-15-22(20)24/h3-15H,1,16H2,2H3
InChIKeySSHTVFOHUXAYEF-UHFFFAOYSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one?
The IUPAC name of 10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one (CID 129105725) is 10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one.
What is the SMILES notation for 10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one?
The canonical SMILES for 10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one is C=C(C)COC1(c2ccccc2)c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of 10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one?
The InChIKey is SSHTVFOHUXAYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O2/c1-17(2)16-26-24(18-10-4-3-5-11-18)21-14-8-6-12-19(21)23(25)20-13-7-9-15-22(20)24/h3-15H,1,16H2,2H3.
What are the key properties of 10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one?
10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one has a molecular weight of 340.42 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylprop-2-enoxy)-10-phenylanthracen-9-one is sourced from PubChem (CID 129105725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).