1-(1-phenylethoxy)anthracene

C22H18O — CID 87845539

IUPAC1-(1-phenylethoxy)anthracene
SMILESCC(Oc1cccc2cc3ccccc3cc12)c1ccccc1
InChIInChI=1S/C22H18O/c1-16(17-8-3-2-4-9-17)23-22-13-7-12-20-14-18-10-5-6-11-19(18)15-21(20)22/h2-16H,1H3
InChIKeyAEFKMJMMFPQTKP-UHFFFAOYSA-N
MW298.38 g/mol
LogP6.13
Rot. Bonds3

About 1-(1-phenylethoxy)anthracene

1-(1-phenylethoxy)anthracene (PubChem CID 87845539) has the molecular formula C22H18O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(1-phenylethoxy)anthracene.

Molecular Properties

Compound Name1-(1-phenylethoxy)anthracene
PubChem CID87845539
Molecular FormulaC22H18O
Molecular Weight298.38 g/mol
Exact Mass298.14
IUPAC Name1-(1-phenylethoxy)anthracene
SMILESCC(Oc1cccc2cc3ccccc3cc12)c1ccccc1
InChIInChI=1S/C22H18O/c1-16(17-8-3-2-4-9-17)23-22-13-7-12-20-14-18-10-5-6-11-19(18)15-21(20)22/h2-16H,1H3
InChIKeyAEFKMJMMFPQTKP-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 56.13
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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Related Compounds

1-anthracen-1-ylperoxyanthracene
CID 87977353
1,2-di(propan-2-yloxy)anthracene
CID 174565596
1-methyl-3-(1-phenylethoxy)benzene
CID 64765647
2-[2-(1-phenylethoxy)phenyl]ethanol
CID 107713134
1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine
CID 43285066
3,4-bis(1-phenylethoxy)cyclobut-3-ene-1,2-dione
CID 18352407
5-methoxy-2-(1-phenylethoxy)aniline
CID 62058742
anthracen-1-yl formate
CID 22404669
2-[(E)-but-2-en-2-yl]-7-(1-phenylethoxy)-1-benzofuran
CID 143231057
2-(chloromethyl)-4-(1-phenylethoxy)quinoline
CID 63445964
1-(3-phenylsulfanylpropoxy)anthracene
CID 158373238
anthracene;2-methylpropane
CID 142471530

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethoxy)anthracene?
The IUPAC name of 1-(1-phenylethoxy)anthracene (CID 87845539) is 1-(1-phenylethoxy)anthracene.
What is the SMILES notation for 1-(1-phenylethoxy)anthracene?
The canonical SMILES for 1-(1-phenylethoxy)anthracene is CC(Oc1cccc2cc3ccccc3cc12)c1ccccc1.
What is the InChIKey of 1-(1-phenylethoxy)anthracene?
The InChIKey is AEFKMJMMFPQTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-16(17-8-3-2-4-9-17)23-22-13-7-12-20-14-18-10-5-6-11-19(18)15-21(20)22/h2-16H,1H3.
What are the key properties of 1-(1-phenylethoxy)anthracene?
1-(1-phenylethoxy)anthracene has a molecular weight of 298.38 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethoxy)anthracene is sourced from PubChem (CID 87845539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).