9-propan-2-yloxyanthracene

C17H16O — CID 13287348

IUPAC9-propan-2-yloxyanthracene
SMILESCC(C)Oc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H16O/c1-12(2)18-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,1-2H3
InChIKeyISXKEBSCLMXOIL-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.78
Rot. Bonds2

About 9-propan-2-yloxyanthracene

9-propan-2-yloxyanthracene (PubChem CID 13287348) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 9-propan-2-yloxyanthracene.

Molecular Properties

Compound Name9-propan-2-yloxyanthracene
PubChem CID13287348
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name9-propan-2-yloxyanthracene
SMILESCC(C)Oc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H16O/c1-12(2)18-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,1-2H3
InChIKeyISXKEBSCLMXOIL-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
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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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yloxyanthracene?
The IUPAC name of 9-propan-2-yloxyanthracene (CID 13287348) is 9-propan-2-yloxyanthracene.
What is the SMILES notation for 9-propan-2-yloxyanthracene?
The canonical SMILES for 9-propan-2-yloxyanthracene is CC(C)Oc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-propan-2-yloxyanthracene?
The InChIKey is ISXKEBSCLMXOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12(2)18-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,1-2H3.
What are the key properties of 9-propan-2-yloxyanthracene?
9-propan-2-yloxyanthracene has a molecular weight of 236.31 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yloxyanthracene is sourced from PubChem (CID 13287348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).