2-ethyl-9,10-dimethoxyanthracene

C18H18O2 — CID 736188

IUPAC2-ethyl-9,10-dimethoxyanthracene
SMILESCCc1ccc2c(OC)c3ccccc3c(OC)c2c1
InChIInChI=1S/C18H18O2/c1-4-12-9-10-15-16(11-12)18(20-3)14-8-6-5-7-13(14)17(15)19-2/h5-11H,4H2,1-3H3
InChIKeySURWYRGVICLUBJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.57
Rot. Bonds3

About 2-ethyl-9,10-dimethoxyanthracene

2-ethyl-9,10-dimethoxyanthracene (PubChem CID 736188) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-ethyl-9,10-dimethoxyanthracene.

Molecular Properties

Compound Name2-ethyl-9,10-dimethoxyanthracene
PubChem CID736188
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-ethyl-9,10-dimethoxyanthracene
SMILESCCc1ccc2c(OC)c3ccccc3c(OC)c2c1
InChIInChI=1S/C18H18O2/c1-4-12-9-10-15-16(11-12)18(20-3)14-8-6-5-7-13(14)17(15)19-2/h5-11H,4H2,1-3H3
InChIKeySURWYRGVICLUBJ-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetomenaphthone
CID 11310
4-Methoxy-1-naphthol
CID 66542
1-Methoxynaphthalene
CID 16668
1,4-Dimethoxyanthracene
CID 83107
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Benzo(kl)xanthene
CID 67456
Multicaulin
CID 467782
1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate
CID 40747
Nabumetone alcohol
CID 10911373
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
1,4-Dimethoxynaphthalene
CID 82337
Naphthalene, 1-(phenylmethoxy)-
CID 136404

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9,10-dimethoxyanthracene?
The IUPAC name of 2-ethyl-9,10-dimethoxyanthracene (CID 736188) is 2-ethyl-9,10-dimethoxyanthracene.
What is the SMILES notation for 2-ethyl-9,10-dimethoxyanthracene?
The canonical SMILES for 2-ethyl-9,10-dimethoxyanthracene is CCc1ccc2c(OC)c3ccccc3c(OC)c2c1.
What is the InChIKey of 2-ethyl-9,10-dimethoxyanthracene?
The InChIKey is SURWYRGVICLUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-4-12-9-10-15-16(11-12)18(20-3)14-8-6-5-7-13(14)17(15)19-2/h5-11H,4H2,1-3H3.
What are the key properties of 2-ethyl-9,10-dimethoxyanthracene?
2-ethyl-9,10-dimethoxyanthracene has a molecular weight of 266.34 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9,10-dimethoxyanthracene is sourced from PubChem (CID 736188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).