9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene

C23H28O2 — CID 21030325

IUPAC9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene
SMILESCOCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2
InChIInChI=1S/C23H28O2/c1-16-11-12-22(25-15-24-2)21(13-16)23-19-9-5-3-7-17(19)14-18-8-4-6-10-20(18)23/h11-14H,3-10,15H2,1-2H3
InChIKeyJUOFQEAXJMOQSB-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.40
Rot. Bonds4

About 9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene

9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene (PubChem CID 21030325) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene.

Molecular Properties

Compound Name9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene
PubChem CID21030325
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene
SMILESCOCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2
InChIInChI=1S/C23H28O2/c1-16-11-12-22(25-15-24-2)21(13-16)23-19-9-5-3-7-17(19)14-18-8-4-6-10-20(18)23/h11-14H,3-10,15H2,1-2H3
InChIKeyJUOFQEAXJMOQSB-UHFFFAOYSA-N
XLogP5.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene?
The IUPAC name of 9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene (CID 21030325) is 9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene.
What is the SMILES notation for 9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene?
The canonical SMILES for 9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene is COCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.
What is the InChIKey of 9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene?
The InChIKey is JUOFQEAXJMOQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-16-11-12-22(25-15-24-2)21(13-16)23-19-9-5-3-7-17(19)14-18-8-4-6-10-20(18)23/h11-14H,3-10,15H2,1-2H3.
What are the key properties of 9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene?
9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene has a molecular weight of 336.48 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene is sourced from PubChem (CID 21030325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).