9,10-dimethoxyanthracene

C16H14O2 — CID 614085

IUPAC9,10-dimethoxyanthracene
SMILESCOc1c2ccccc2c(OC)c2ccccc12
InChIInChI=1S/C16H14O2/c1-17-15-11-7-3-5-9-13(11)16(18-2)14-10-6-4-8-12(14)15/h3-10H,1-2H3
InChIKeyJWJMBKSFTTXMLL-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.01
Rot. Bonds2

About 9,10-dimethoxyanthracene

9,10-dimethoxyanthracene (PubChem CID 614085) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 9,10-dimethoxyanthracene.

Molecular Properties

Compound Name9,10-dimethoxyanthracene
PubChem CID614085
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name9,10-dimethoxyanthracene
SMILESCOc1c2ccccc2c(OC)c2ccccc12
InChIInChI=1S/C16H14O2/c1-17-15-11-7-3-5-9-13(11)16(18-2)14-10-6-4-8-12(14)15/h3-10H,1-2H3
InChIKeyJWJMBKSFTTXMLL-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.01
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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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxyanthracene?
The IUPAC name of 9,10-dimethoxyanthracene (CID 614085) is 9,10-dimethoxyanthracene.
What is the SMILES notation for 9,10-dimethoxyanthracene?
The canonical SMILES for 9,10-dimethoxyanthracene is COc1c2ccccc2c(OC)c2ccccc12.
What is the InChIKey of 9,10-dimethoxyanthracene?
The InChIKey is JWJMBKSFTTXMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-17-15-11-7-3-5-9-13(11)16(18-2)14-10-6-4-8-12(14)15/h3-10H,1-2H3.
What are the key properties of 9,10-dimethoxyanthracene?
9,10-dimethoxyanthracene has a molecular weight of 238.29 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxyanthracene is sourced from PubChem (CID 614085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).