9,10-diethoxyanthracen-2-ol

C18H18O3 — CID 139656119

IUPAC9,10-diethoxyanthracen-2-ol
SMILESCCOc1c2ccccc2c(OCC)c2cc(O)ccc12
InChIInChI=1S/C18H18O3/c1-3-20-17-13-7-5-6-8-14(13)18(21-4-2)16-11-12(19)9-10-15(16)17/h5-11,19H,3-4H2,1-2H3
InChIKeyHJIBCVBTUSNWKY-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.50
Rot. Bonds4

About 9,10-diethoxyanthracen-2-ol

9,10-diethoxyanthracen-2-ol (PubChem CID 139656119) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 9,10-diethoxyanthracen-2-ol.

Molecular Properties

Compound Name9,10-diethoxyanthracen-2-ol
PubChem CID139656119
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name9,10-diethoxyanthracen-2-ol
SMILESCCOc1c2ccccc2c(OCC)c2cc(O)ccc12
InChIInChI=1S/C18H18O3/c1-3-20-17-13-7-5-6-8-14(13)18(21-4-2)16-11-12(19)9-10-15(16)17/h5-11,19H,3-4H2,1-2H3
InChIKeyHJIBCVBTUSNWKY-UHFFFAOYSA-N
XLogP4.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-diethoxyanthracen-2-ol?
The IUPAC name of 9,10-diethoxyanthracen-2-ol (CID 139656119) is 9,10-diethoxyanthracen-2-ol.
What is the SMILES notation for 9,10-diethoxyanthracen-2-ol?
The canonical SMILES for 9,10-diethoxyanthracen-2-ol is CCOc1c2ccccc2c(OCC)c2cc(O)ccc12.
What is the InChIKey of 9,10-diethoxyanthracen-2-ol?
The InChIKey is HJIBCVBTUSNWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-20-17-13-7-5-6-8-14(13)18(21-4-2)16-11-12(19)9-10-15(16)17/h5-11,19H,3-4H2,1-2H3.
What are the key properties of 9,10-diethoxyanthracen-2-ol?
9,10-diethoxyanthracen-2-ol has a molecular weight of 282.34 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diethoxyanthracen-2-ol is sourced from PubChem (CID 139656119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).