3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one

C17H16O6 — CID 102189817

IUPAC3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one
SMILESCOc1cc(OC)c2c(OC)cc(OC)c3c2c1C(=O)C=C3O
InChIInChI=1S/C17H16O6/c1-20-10-6-12(22-3)16-13(23-4)7-11(21-2)15-9(19)5-8(18)14(10)17(15)16/h5-7,18H,1-4H3
InChIKeyVDWZBKRPRSBJFF-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.97
Rot. Bonds4

About 3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one

3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one (PubChem CID 102189817) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one.

Molecular Properties

Compound Name3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one
PubChem CID102189817
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one
SMILESCOc1cc(OC)c2c(OC)cc(OC)c3c2c1C(=O)C=C3O
InChIInChI=1S/C17H16O6/c1-20-10-6-12(22-3)16-13(23-4)7-11(21-2)15-9(19)5-8(18)14(10)17(15)16/h5-7,18H,1-4H3
InChIKeyVDWZBKRPRSBJFF-UHFFFAOYSA-N
XLogP2.97
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,6,7,9-pentahydroxyphenalen-1-one
CID 125489226
5-chloro-4-hydroxy-7,8-dimethoxynaphthalene-1,2-dione
CID 82254523
2-methoxycycloprop-2-en-1-one
CID 140769587
9-hydroxy-5,8-dimethoxyphenanthrene-1,4-dione
CID 23251757
ethyl 5,7-dimethoxy-1,4-dioxonaphthalene-2-carboxylate
CID 102153258
5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione
CID 52942040
5-hydroxy-2-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 10583219
2,4-dihydroxy-3,7-dimethoxy-6,9-dimethylphenalen-1-one
CID 135972628
4,5,6,7-tetrachloro-3-hydroxyinden-1-one
CID 25273156
dimethyl 2,11-dihydroxy-4,6,7,9-tetramethoxy-3,10-dioxoperylene-1,12-dicarboxylate
CID 135545220
2-chloro-5-methoxy-7-methylnaphthalene-1,4-dione
CID 13412780
2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione
CID 634823

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one?
The IUPAC name of 3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one (CID 102189817) is 3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one.
What is the SMILES notation for 3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one?
The canonical SMILES for 3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one is COc1cc(OC)c2c(OC)cc(OC)c3c2c1C(=O)C=C3O.
What is the InChIKey of 3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one?
The InChIKey is VDWZBKRPRSBJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c1-20-10-6-12(22-3)16-13(23-4)7-11(21-2)15-9(19)5-8(18)14(10)17(15)16/h5-7,18H,1-4H3.
What are the key properties of 3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one?
3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one has a molecular weight of 316.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one is sourced from PubChem (CID 102189817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).