2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione

C22H22O4 — CID 142748984

IUPAC2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(O)c(C3CCCCCCC3)cc(O)c21
InChIInChI=1S/C22H22O4/c23-17-12-16(13-8-4-2-1-3-5-9-13)22(26)19-18(17)20(24)14-10-6-7-11-15(14)21(19)25/h6-7,10-13,23,26H,1-5,8-9H2
InChIKeyMREVZZFZXWJLFQ-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.70
Rot. Bonds1

About 2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione

2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione (PubChem CID 142748984) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione
PubChem CID142748984
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(O)c(C3CCCCCCC3)cc(O)c21
InChIInChI=1S/C22H22O4/c23-17-12-16(13-8-4-2-1-3-5-9-13)22(26)19-18(17)20(24)14-10-6-7-11-15(14)21(19)25/h6-7,10-13,23,26H,1-5,8-9H2
InChIKeyMREVZZFZXWJLFQ-UHFFFAOYSA-N
XLogP4.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dihydroxyanthracene-9,10-dione;1,2,4-trihydroxyanthracene-9,10-dione
CID 87387452
2-cyclododecylphenol
CID 22381643
7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione
CID 15883466
2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane
CID 174887026
CID 174211187
CID 174211187
4-chloro-2-cyclododecyl-6-phenylphenol
CID 157022495
3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 146178995
3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol
CID 22465222
1,2,4,5-tetrakis(2,6-dicyclohexylphenyl)benzene
CID 176589303
3-[3-(cyclohexylamino)propoxy]-1-hydroxyanthracene-9,10-dione
CID 56672183
8,9-dichloro-6,11-dihydroxytetracene-5,12-dione
CID 19090660
2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol
CID 158976886

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione?
The IUPAC name of 2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione (CID 142748984) is 2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione.
What is the SMILES notation for 2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione?
The canonical SMILES for 2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c(O)c(C3CCCCCCC3)cc(O)c21.
What is the InChIKey of 2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione?
The InChIKey is MREVZZFZXWJLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c23-17-12-16(13-8-4-2-1-3-5-9-13)22(26)19-18(17)20(24)14-10-6-7-11-15(14)21(19)25/h6-7,10-13,23,26H,1-5,8-9H2.
What are the key properties of 2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione?
2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione has a molecular weight of 350.41 g/mol, XLogP of 4.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-1,4-dihydroxyanthracene-9,10-dione is sourced from PubChem (CID 142748984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).