2-methoxypyrene-1,8-dione

C17H10O3 — CID 123167864

IUPAC2-methoxypyrene-1,8-dione
SMILESCOC1=Cc2ccc3c4c(ccc(c24)C1=O)C(=O)C=C3
InChIInChI=1S/C17H10O3/c1-20-14-8-10-3-2-9-4-7-13(18)11-5-6-12(17(14)19)16(10)15(9)11/h2-8H,1H3
InChIKeyHWHYFODQGVWISY-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.23
Rot. Bonds1

About 2-methoxypyrene-1,8-dione

2-methoxypyrene-1,8-dione (PubChem CID 123167864) has the molecular formula C17H10O3 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-methoxypyrene-1,8-dione.

Molecular Properties

Compound Name2-methoxypyrene-1,8-dione
PubChem CID123167864
Molecular FormulaC17H10O3
Molecular Weight262.26 g/mol
Exact Mass262.06
IUPAC Name2-methoxypyrene-1,8-dione
SMILESCOC1=Cc2ccc3c4c(ccc(c24)C1=O)C(=O)C=C3
InChIInChI=1S/C17H10O3/c1-20-14-8-10-3-2-9-4-7-13(18)11-5-6-12(17(14)19)16(10)15(9)11/h2-8H,1H3
InChIKeyHWHYFODQGVWISY-UHFFFAOYSA-N
XLogP3.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
CID 166453589
azane;phenalen-1-one
CID 175328338
7-(4-methoxyphenyl)phenalen-1-one
CID 166453595
phenalen-1-one;phosphoric acid
CID 70389787
8-(chloromethyl)-6-methoxy-7-phenylphenalen-1-one
CID 170692091
7-(hydroxymethyl)-2-methoxynaphthalene-1,4-dione
CID 168745639
2-methylprop-2-enoic acid;phenalen-1-one
CID 138521176
7,8-dimethoxyphenalen-1-one
CID 10490203
2,7,8-trimethoxynaphthalene-1,4-dione
CID 71387360
4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one
CID 86190531
2,6-dimethoxycyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 172805370
5,7-dichloro-2-methoxynaphthalene-1,4-dione
CID 15029633

Frequently Asked Questions

What is the IUPAC name of 2-methoxypyrene-1,8-dione?
The IUPAC name of 2-methoxypyrene-1,8-dione (CID 123167864) is 2-methoxypyrene-1,8-dione.
What is the SMILES notation for 2-methoxypyrene-1,8-dione?
The canonical SMILES for 2-methoxypyrene-1,8-dione is COC1=Cc2ccc3c4c(ccc(c24)C1=O)C(=O)C=C3.
What is the InChIKey of 2-methoxypyrene-1,8-dione?
The InChIKey is HWHYFODQGVWISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O3/c1-20-14-8-10-3-2-9-4-7-13(18)11-5-6-12(17(14)19)16(10)15(9)11/h2-8H,1H3.
What are the key properties of 2-methoxypyrene-1,8-dione?
2-methoxypyrene-1,8-dione has a molecular weight of 262.26 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypyrene-1,8-dione is sourced from PubChem (CID 123167864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).