1,9,10-trimethoxy-2-pentylanthracene

C22H26O3 — CID 175607146

IUPAC1,9,10-trimethoxy-2-pentylanthracene
SMILESCCCCCc1ccc2c(OC)c3ccccc3c(OC)c2c1OC
InChIInChI=1S/C22H26O3/c1-5-6-7-10-15-13-14-18-19(20(15)23-2)22(25-4)17-12-9-8-11-16(17)21(18)24-3/h8-9,11-14H,5-7,10H2,1-4H3
InChIKeyAGUPZVWECHZCST-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.75
Rot. Bonds7

About 1,9,10-trimethoxy-2-pentylanthracene

1,9,10-trimethoxy-2-pentylanthracene (PubChem CID 175607146) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1,9,10-trimethoxy-2-pentylanthracene.

Molecular Properties

Compound Name1,9,10-trimethoxy-2-pentylanthracene
PubChem CID175607146
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name1,9,10-trimethoxy-2-pentylanthracene
SMILESCCCCCc1ccc2c(OC)c3ccccc3c(OC)c2c1OC
InChIInChI=1S/C22H26O3/c1-5-6-7-10-15-13-14-18-19(20(15)23-2)22(25-4)17-12-9-8-11-16(17)21(18)24-3/h8-9,11-14H,5-7,10H2,1-4H3
InChIKeyAGUPZVWECHZCST-UHFFFAOYSA-N
XLogP5.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 157140020
1-hexyl-4-propylnaphthalene
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CID 86127214
2-(4-chlorobutyl)-1-methoxynaphthalene
CID 15617937
1,6-dioctadecylpyrene
CID 59510038
1-tetradecylnaphthalene
CID 14402128
1-methoxy-2-propylnaphthalene
CID 19091368
1-hexadecylpyrene
CID 12966317
1-hexylbenzo[a]pyrene
CID 139846085
4,9-dihexylpicene
CID 58426524
4,9-didodecylpicene
CID 58426566
potassium;hydride;1-octylnaphthalene
CID 173443599

Frequently Asked Questions

What is the IUPAC name of 1,9,10-trimethoxy-2-pentylanthracene?
The IUPAC name of 1,9,10-trimethoxy-2-pentylanthracene (CID 175607146) is 1,9,10-trimethoxy-2-pentylanthracene.
What is the SMILES notation for 1,9,10-trimethoxy-2-pentylanthracene?
The canonical SMILES for 1,9,10-trimethoxy-2-pentylanthracene is CCCCCc1ccc2c(OC)c3ccccc3c(OC)c2c1OC.
What is the InChIKey of 1,9,10-trimethoxy-2-pentylanthracene?
The InChIKey is AGUPZVWECHZCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c1-5-6-7-10-15-13-14-18-19(20(15)23-2)22(25-4)17-12-9-8-11-16(17)21(18)24-3/h8-9,11-14H,5-7,10H2,1-4H3.
What are the key properties of 1,9,10-trimethoxy-2-pentylanthracene?
1,9,10-trimethoxy-2-pentylanthracene has a molecular weight of 338.45 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9,10-trimethoxy-2-pentylanthracene is sourced from PubChem (CID 175607146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).