2-anthracen-2-yloxane

C19H18O — CID 91801960

IUPAC2-anthracen-2-yloxane
SMILESc1ccc2cc3cc(C4CCCCO4)ccc3cc2c1
InChIInChI=1S/C19H18O/c1-2-6-15-12-18-13-17(19-7-3-4-10-20-19)9-8-16(18)11-14(15)5-1/h1-2,5-6,8-9,11-13,19H,3-4,7,10H2
InChIKeyBLSPYYRGNGYPLD-UHFFFAOYSA-N
MW262.35 g/mol
LogP5.23
Rot. Bonds1

About 2-anthracen-2-yloxane

2-anthracen-2-yloxane (PubChem CID 91801960) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-anthracen-2-yloxane.

Molecular Properties

Compound Name2-anthracen-2-yloxane
PubChem CID91801960
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name2-anthracen-2-yloxane
SMILESc1ccc2cc3cc(C4CCCCO4)ccc3cc2c1
InChIInChI=1S/C19H18O/c1-2-6-15-12-18-13-17(19-7-3-4-10-20-19)9-8-16(18)11-14(15)5-1/h1-2,5-6,8-9,11-13,19H,3-4,7,10H2
InChIKeyBLSPYYRGNGYPLD-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.35
LogP ≤ 55.23
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 2-anthracen-2-yloxane?
The IUPAC name of 2-anthracen-2-yloxane (CID 91801960) is 2-anthracen-2-yloxane.
What is the SMILES notation for 2-anthracen-2-yloxane?
The canonical SMILES for 2-anthracen-2-yloxane is c1ccc2cc3cc(C4CCCCO4)ccc3cc2c1.
What is the InChIKey of 2-anthracen-2-yloxane?
The InChIKey is BLSPYYRGNGYPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-2-6-15-12-18-13-17(19-7-3-4-10-20-19)9-8-16(18)11-14(15)5-1/h1-2,5-6,8-9,11-13,19H,3-4,7,10H2.
What are the key properties of 2-anthracen-2-yloxane?
2-anthracen-2-yloxane has a molecular weight of 262.35 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-2-yloxane is sourced from PubChem (CID 91801960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).