2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol

C24H30O6 — CID 158330008

IUPAC2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol
SMILESCCc1cc(CC)c2c(COC)c3c(COC)cc(COC)c(O)c3c(O)c2c1O
InChIInChI=1S/C24H30O6/c1-6-13-8-14(7-2)22(25)20-18(13)17(12-30-5)19-15(10-28-3)9-16(11-29-4)23(26)21(19)24(20)27/h8-9,25-27H,6-7,10-12H2,1-5H3
InChIKeySBLKGVXJEQTVPV-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.67
Rot. Bonds8

About 2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol

2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol (PubChem CID 158330008) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol.

Molecular Properties

Compound Name2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol
PubChem CID158330008
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol
SMILESCCc1cc(CC)c2c(COC)c3c(COC)cc(COC)c(O)c3c(O)c2c1O
InChIInChI=1S/C24H30O6/c1-6-13-8-14(7-2)22(25)20-18(13)17(12-30-5)19-15(10-28-3)9-16(11-29-4)23(26)21(19)24(20)27/h8-9,25-27H,6-7,10-12H2,1-5H3
InChIKeySBLKGVXJEQTVPV-UHFFFAOYSA-N
XLogP4.67
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol
CID 58599740
2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol
CID 59672204
4-[1-(3,5-diethyl-4-hydroxyphenyl)-2,2-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]-2,6-diethylphenol
CID 118593438
4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 118593439
2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol
CID 143920624
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate
CID 161261723
2,4-bis(methoxymethyl)-5-methylphenol
CID 176835467
3,5-diethyl-2,6-dimethylphenol
CID 23451688
2-ethyl-6-methylbenzene-1,4-diol
CID 11686935
2,4-bis(methoxymethyl)-6-propan-2-ylphenol
CID 141487661
2-hydroxy-3,4-bis(methoxymethyl)benzoic acid
CID 174584016

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol?
The IUPAC name of 2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol (CID 158330008) is 2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol.
What is the SMILES notation for 2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol?
The canonical SMILES for 2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol is CCc1cc(CC)c2c(COC)c3c(COC)cc(COC)c(O)c3c(O)c2c1O.
What is the InChIKey of 2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol?
The InChIKey is SBLKGVXJEQTVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c1-6-13-8-14(7-2)22(25)20-18(13)17(12-30-5)19-15(10-28-3)9-16(11-29-4)23(26)21(19)24(20)27/h8-9,25-27H,6-7,10-12H2,1-5H3.
What are the key properties of 2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol?
2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol has a molecular weight of 414.50 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol is sourced from PubChem (CID 158330008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).