2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone

C20H18O5 — CID 10544971

IUPAC2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone
SMILESCCCCCC(O)c1cc(=O)c2c(=O)c3ccccc3c(=O)c=2c1=O
InChIInChI=1S/C20H18O5/c1-2-3-4-9-14(21)13-10-15(22)16-17(20(13)25)19(24)12-8-6-5-7-11(12)18(16)23/h5-8,10,14,21H,2-4,9H2,1H3
InChIKeyRGGQVKBPPCNZAR-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.49
Rot. Bonds5

About 2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone

2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone (PubChem CID 10544971) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone.

Molecular Properties

Compound Name2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone
PubChem CID10544971
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone
SMILESCCCCCC(O)c1cc(=O)c2c(=O)c3ccccc3c(=O)c=2c1=O
InChIInChI=1S/C20H18O5/c1-2-3-4-9-14(21)13-10-15(22)16-17(20(13)25)19(24)12-8-6-5-7-11(12)18(16)23/h5-8,10,14,21H,2-4,9H2,1H3
InChIKeyRGGQVKBPPCNZAR-UHFFFAOYSA-N
XLogP1.49
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4,9,10-tetraoxoanthracen-2-yl)tridecyl acetate
CID 10648338
1-(1,4,9,10-tetraoxoanthracen-2-yl)butyl acetate
CID 10760435
1-(4-methylnaphthalen-1-yl)heptan-1-ol
CID 114753428
1-(4-chloronaphthalen-1-yl)nonan-1-ol
CID 79592377
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-(7-bromonaphthalen-1-yl)hexan-1-ol
CID 102243585
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
2-hydroxy-5-(1-hydroxyhexyl)bicyclo[4.1.0]hepta-1,3,5-trien-7-one
CID 170619933
1-(2-methylsulfanylphenyl)heptan-1-ol
CID 115783455
(1R)-1-phenyloctan-1-ol
CID 12794259
2-(7-hydroxypentadecyl)chromen-4-one
CID 175037169
1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone?
The IUPAC name of 2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone (CID 10544971) is 2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone.
What is the SMILES notation for 2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone?
The canonical SMILES for 2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone is CCCCCC(O)c1cc(=O)c2c(=O)c3ccccc3c(=O)c=2c1=O.
What is the InChIKey of 2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone?
The InChIKey is RGGQVKBPPCNZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-2-3-4-9-14(21)13-10-15(22)16-17(20(13)25)19(24)12-8-6-5-7-11(12)18(16)23/h5-8,10,14,21H,2-4,9H2,1H3.
What are the key properties of 2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone?
2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone has a molecular weight of 338.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyhexyl)anthracene-1,4,9,10-tetrone is sourced from PubChem (CID 10544971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).