7,8-dimethoxyphenalen-1-one

C15H12O3 — CID 10490203

IUPAC7,8-dimethoxyphenalen-1-one
SMILESCOc1cc2c3c(cccc3c1OC)C=CC2=O
InChIInChI=1S/C15H12O3/c1-17-13-8-11-12(16)7-6-9-4-3-5-10(14(9)11)15(13)18-2/h3-8H,1-2H3
InChIKeyVSAJIRCNFDONFN-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.07
Rot. Bonds2

About 7,8-dimethoxyphenalen-1-one

7,8-dimethoxyphenalen-1-one (PubChem CID 10490203) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 7,8-dimethoxyphenalen-1-one.

Molecular Properties

Compound Name7,8-dimethoxyphenalen-1-one
PubChem CID10490203
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name7,8-dimethoxyphenalen-1-one
SMILESCOc1cc2c3c(cccc3c1OC)C=CC2=O
InChIInChI=1S/C15H12O3/c1-17-13-8-11-12(16)7-6-9-4-3-5-10(14(9)11)15(13)18-2/h3-8H,1-2H3
InChIKeyVSAJIRCNFDONFN-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-methoxyphenyl)phenalen-1-one
CID 166453595
5-methoxy-6-methylinden-1-one
CID 130031132
magnesium (6-oxophenalen-1-yl) phosphate
CID 21276038
2-methoxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
CID 166453589
azane;phenalen-1-one
CID 175328338
2-hydroxy-6-(3,4,5-trimethoxyphenyl)phenalen-1-one
CID 166453560
4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
1,4-dimethoxy-2-(2-methoxyphenyl)naphthalene
CID 161363992
1,2,3,8-tetramethoxynaphthalene
CID 91328449
6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one
CID 118359993
4-(3,4-dimethoxyphenyl)phenalen-1-one
CID 166453606
10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one
CID 176586497

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxyphenalen-1-one?
The IUPAC name of 7,8-dimethoxyphenalen-1-one (CID 10490203) is 7,8-dimethoxyphenalen-1-one.
What is the SMILES notation for 7,8-dimethoxyphenalen-1-one?
The canonical SMILES for 7,8-dimethoxyphenalen-1-one is COc1cc2c3c(cccc3c1OC)C=CC2=O.
What is the InChIKey of 7,8-dimethoxyphenalen-1-one?
The InChIKey is VSAJIRCNFDONFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-17-13-8-11-12(16)7-6-9-4-3-5-10(14(9)11)15(13)18-2/h3-8H,1-2H3.
What are the key properties of 7,8-dimethoxyphenalen-1-one?
7,8-dimethoxyphenalen-1-one has a molecular weight of 240.26 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxyphenalen-1-one is sourced from PubChem (CID 10490203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).