1-(oxiran-2-ylmethoxy)anthracene-9,10-dione

C17H12O4 — CID 13423602

IUPAC1-(oxiran-2-ylmethoxy)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(OCC3CO3)cccc21
InChIInChI=1S/C17H12O4/c18-16-11-4-1-2-5-12(11)17(19)15-13(16)6-3-7-14(15)21-9-10-8-20-10/h1-7,10H,8-9H2
InChIKeyFKLJHEPYRHDMKQ-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.24
Rot. Bonds3

About 1-(oxiran-2-ylmethoxy)anthracene-9,10-dione

1-(oxiran-2-ylmethoxy)anthracene-9,10-dione (PubChem CID 13423602) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethoxy)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(oxiran-2-ylmethoxy)anthracene-9,10-dione
PubChem CID13423602
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name1-(oxiran-2-ylmethoxy)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(OCC3CO3)cccc21
InChIInChI=1S/C17H12O4/c18-16-11-4-1-2-5-12(11)17(19)15-13(16)6-3-7-14(15)21-9-10-8-20-10/h1-7,10H,8-9H2
InChIKeyFKLJHEPYRHDMKQ-UHFFFAOYSA-N
XLogP2.24
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 129094170
5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 22854106
1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
CID 14472276
2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 129094059
1,3,5-tris[2-(oxiran-2-ylmethoxy)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 15745049
oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 86748747
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethoxy)anthracene-9,10-dione?
The IUPAC name of 1-(oxiran-2-ylmethoxy)anthracene-9,10-dione (CID 13423602) is 1-(oxiran-2-ylmethoxy)anthracene-9,10-dione.
What is the SMILES notation for 1-(oxiran-2-ylmethoxy)anthracene-9,10-dione?
The canonical SMILES for 1-(oxiran-2-ylmethoxy)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c(OCC3CO3)cccc21.
What is the InChIKey of 1-(oxiran-2-ylmethoxy)anthracene-9,10-dione?
The InChIKey is FKLJHEPYRHDMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c18-16-11-4-1-2-5-12(11)17(19)15-13(16)6-3-7-14(15)21-9-10-8-20-10/h1-7,10H,8-9H2.
What are the key properties of 1-(oxiran-2-ylmethoxy)anthracene-9,10-dione?
1-(oxiran-2-ylmethoxy)anthracene-9,10-dione has a molecular weight of 280.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethoxy)anthracene-9,10-dione is sourced from PubChem (CID 13423602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).