9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene

C21H28O2 — CID 153323217

IUPAC9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene
SMILESCCCCCC1CCc2c(c(OC)c3ccccc3c2OC)C1
InChIInChI=1S/C21H28O2/c1-4-5-6-9-15-12-13-18-19(14-15)21(23-3)17-11-8-7-10-16(17)20(18)22-2/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3
InChIKeyIDWHKJXVGTVIJG-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.54
Rot. Bonds6

About 9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene

9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene (PubChem CID 153323217) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene.

Molecular Properties

Compound Name9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene
PubChem CID153323217
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene
SMILESCCCCCC1CCc2c(c(OC)c3ccccc3c2OC)C1
InChIInChI=1S/C21H28O2/c1-4-5-6-9-15-12-13-18-19(14-15)21(23-3)17-11-8-7-10-16(17)20(18)22-2/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3
InChIKeyIDWHKJXVGTVIJG-UHFFFAOYSA-N
XLogP5.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,10-dioctoxy-2-pentyl-1,2,3,4-tetrahydroanthracene
CID 153323148
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811
2-chloro-9,10-dihexoxy-1,2,3,4-tetrahydroanthracene
CID 153323128
(4-acetyloxy-6-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate
CID 10087260
2-[[(7S)-7-undecyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 144530116
3-pentylcyclopentan-1-one
CID 11040911
7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 175402071
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
methyl 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 58719130
2-ethyl-5-(4-pentylcyclohexyl)-1,2,3,4-tetrahydrochrysene
CID 174758892
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
2-nonyl-1,2,3,4-tetrahydroxanthen-10-ium
CID 21312472

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene?
The IUPAC name of 9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene (CID 153323217) is 9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene.
What is the SMILES notation for 9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene?
The canonical SMILES for 9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene is CCCCCC1CCc2c(c(OC)c3ccccc3c2OC)C1.
What is the InChIKey of 9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene?
The InChIKey is IDWHKJXVGTVIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-4-5-6-9-15-12-13-18-19(14-15)21(23-3)17-11-8-7-10-16(17)20(18)22-2/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3.
What are the key properties of 9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene?
9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene has a molecular weight of 312.45 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene is sourced from PubChem (CID 153323217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).