2,3-dimethoxyphenanthrene-1,4-dione

C16H12O4 — CID 14003225

IUPAC2,3-dimethoxyphenanthrene-1,4-dione
SMILESCOC1=C(OC)C(=O)c2c(ccc3ccccc23)C1=O
InChIInChI=1S/C16H12O4/c1-19-15-13(17)11-8-7-9-5-3-4-6-10(9)12(11)14(18)16(15)20-2/h3-8H,1-2H3
InChIKeyIWAONQTVVLXTRR-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.72
Rot. Bonds2

About 2,3-dimethoxyphenanthrene-1,4-dione

2,3-dimethoxyphenanthrene-1,4-dione (PubChem CID 14003225) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2,3-dimethoxyphenanthrene-1,4-dione.

Molecular Properties

Compound Name2,3-dimethoxyphenanthrene-1,4-dione
PubChem CID14003225
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name2,3-dimethoxyphenanthrene-1,4-dione
SMILESCOC1=C(OC)C(=O)c2c(ccc3ccccc23)C1=O
InChIInChI=1S/C16H12O4/c1-19-15-13(17)11-8-7-9-5-3-4-6-10(9)12(11)14(18)16(15)20-2/h3-8H,1-2H3
InChIKeyIWAONQTVVLXTRR-UHFFFAOYSA-N
XLogP2.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one
CID 11243834
benzo[c]fluoren-7-one
CID 22413
3-(1,2,4-trioxophenanthren-3-yl)phenanthrene-1,2,4-trione
CID 10343512
8,9,10,11-tetradeuteriobenzo[a]anthracene-7,12-dione
CID 169434082
heptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20(29),21,23,25,27-tetradecaen-16-one
CID 102495054
2,3-dimethoxynaphthalene-1,4-dione;ethane
CID 144726564
8-bromobenzo[a]anthracene-7,12-dione;4,8-dibromobenzo[a]anthracene-7,12-dione
CID 160743910
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate
CID 680481
1-phenylbenzo[c]phenanthrene-5,6-dione
CID 10892989
1-hydroxyphenanthrene-3,4-dione
CID 14905308
5-methoxybenzo[b]fluoren-11-one
CID 10753817

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxyphenanthrene-1,4-dione?
The IUPAC name of 2,3-dimethoxyphenanthrene-1,4-dione (CID 14003225) is 2,3-dimethoxyphenanthrene-1,4-dione.
What is the SMILES notation for 2,3-dimethoxyphenanthrene-1,4-dione?
The canonical SMILES for 2,3-dimethoxyphenanthrene-1,4-dione is COC1=C(OC)C(=O)c2c(ccc3ccccc23)C1=O.
What is the InChIKey of 2,3-dimethoxyphenanthrene-1,4-dione?
The InChIKey is IWAONQTVVLXTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-15-13(17)11-8-7-9-5-3-4-6-10(9)12(11)14(18)16(15)20-2/h3-8H,1-2H3.
What are the key properties of 2,3-dimethoxyphenanthrene-1,4-dione?
2,3-dimethoxyphenanthrene-1,4-dione has a molecular weight of 268.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxyphenanthrene-1,4-dione is sourced from PubChem (CID 14003225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).