9-(methoxymethyl)-10-methylanthracene

C17H16O — CID 12579234

IUPAC9-(methoxymethyl)-10-methylanthracene
SMILESCOCc1c2ccccc2c(C)c2ccccc12
InChIInChI=1S/C17H16O/c1-12-13-7-3-5-9-15(13)17(11-18-2)16-10-6-4-8-14(12)16/h3-10H,11H2,1-2H3
InChIKeyZGQLOCYVWYEEMH-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.45
Rot. Bonds2

About 9-(methoxymethyl)-10-methylanthracene

9-(methoxymethyl)-10-methylanthracene (PubChem CID 12579234) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 9-(methoxymethyl)-10-methylanthracene.

Molecular Properties

Compound Name9-(methoxymethyl)-10-methylanthracene
PubChem CID12579234
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name9-(methoxymethyl)-10-methylanthracene
SMILESCOCc1c2ccccc2c(C)c2ccccc12
InChIInChI=1S/C17H16O/c1-12-13-7-3-5-9-15(13)17(11-18-2)16-10-6-4-8-14(12)16/h3-10H,11H2,1-2H3
InChIKeyZGQLOCYVWYEEMH-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-(methoxymethyl)anthracen-9-ol
CID 58645182
1-methoxy-4-(methoxymethyl)-2,3-dimethylnaphthalene
CID 90738504
9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene
CID 135013446
9-butyl-10-methylanthracene
CID 22754688
9-(2-fluoroethyl)-10-methylanthracene
CID 13283739
ethane;9-methyl-10-propylanthracene
CID 144649779
[3-(10-Methylanthracen-9-YL)propyl]silane
CID 78060770
2,3-diethyl-1,4-dimethylnaphthalene
CID 59270753
diethoxysilane;9-(methoxymethyl)anthracene
CID 173247688
2-(methoxymethyl)-1,3-dimethylindole
CID 101050705
1,3-bis(methoxymethyl)-2,4,5,6-tetramethylbenzene
CID 12721344
N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine
CID 170865143

Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)-10-methylanthracene?
The IUPAC name of 9-(methoxymethyl)-10-methylanthracene (CID 12579234) is 9-(methoxymethyl)-10-methylanthracene.
What is the SMILES notation for 9-(methoxymethyl)-10-methylanthracene?
The canonical SMILES for 9-(methoxymethyl)-10-methylanthracene is COCc1c2ccccc2c(C)c2ccccc12.
What is the InChIKey of 9-(methoxymethyl)-10-methylanthracene?
The InChIKey is ZGQLOCYVWYEEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12-13-7-3-5-9-15(13)17(11-18-2)16-10-6-4-8-14(12)16/h3-10H,11H2,1-2H3.
What are the key properties of 9-(methoxymethyl)-10-methylanthracene?
9-(methoxymethyl)-10-methylanthracene has a molecular weight of 236.31 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)-10-methylanthracene is sourced from PubChem (CID 12579234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).