2-tert-butyl-4-methoxy-1-methylanthracene

C20H22O — CID 155456277

IUPAC2-tert-butyl-4-methoxy-1-methylanthracene
SMILESCOc1cc(C(C)(C)C)c(C)c2cc3ccccc3cc12
InChIInChI=1S/C20H22O/c1-13-16-10-14-8-6-7-9-15(14)11-17(16)19(21-5)12-18(13)20(2,3)4/h6-12H,1-5H3
InChIKeyZYZYJGOITUWHND-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.61
Rot. Bonds1

About 2-tert-butyl-4-methoxy-1-methylanthracene

2-tert-butyl-4-methoxy-1-methylanthracene (PubChem CID 155456277) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxy-1-methylanthracene.

Molecular Properties

Compound Name2-tert-butyl-4-methoxy-1-methylanthracene
PubChem CID155456277
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name2-tert-butyl-4-methoxy-1-methylanthracene
SMILESCOc1cc(C(C)(C)C)c(C)c2cc3ccccc3cc12
InChIInChI=1S/C20H22O/c1-13-16-10-14-8-6-7-9-15(14)11-17(16)19(21-5)12-18(13)20(2,3)4/h6-12H,1-5H3
InChIKeyZYZYJGOITUWHND-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.61
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

2-tert-butyl-4-(4,4-dimethylcyclohexyl)-1-methylanthracene
CID 155760218
6,13-dimethylpentacene;ethane
CID 123724624
2,3-ditert-butylnaphthalene
CID 14173307
1-tert-butyl-2,3,4,5-tetramethoxybenzene
CID 101460863
1-tert-butyl-7-methoxynaphthalene
CID 608110
2,4-ditert-butyl-1,6,7-trimethylnaphthalene
CID 171579051
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
CID 21195641
6,13-bis(2,4,6-trimethoxyphenyl)pentacene
CID 141153743
2-tert-butyl-1-methoxynaphthalene
CID 169287795
5,13-dimethylpentacene;ethane
CID 144696296
tris(3-tert-butylnaphthalen-2-yl) phosphite
CID 19087278

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxy-1-methylanthracene?
The IUPAC name of 2-tert-butyl-4-methoxy-1-methylanthracene (CID 155456277) is 2-tert-butyl-4-methoxy-1-methylanthracene.
What is the SMILES notation for 2-tert-butyl-4-methoxy-1-methylanthracene?
The canonical SMILES for 2-tert-butyl-4-methoxy-1-methylanthracene is COc1cc(C(C)(C)C)c(C)c2cc3ccccc3cc12.
What is the InChIKey of 2-tert-butyl-4-methoxy-1-methylanthracene?
The InChIKey is ZYZYJGOITUWHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-13-16-10-14-8-6-7-9-15(14)11-17(16)19(21-5)12-18(13)20(2,3)4/h6-12H,1-5H3.
What are the key properties of 2-tert-butyl-4-methoxy-1-methylanthracene?
2-tert-butyl-4-methoxy-1-methylanthracene has a molecular weight of 278.40 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxy-1-methylanthracene is sourced from PubChem (CID 155456277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).