9-cyclohexyloxyanthracene

C20H20O — CID 139783427

IUPAC9-cyclohexyloxyanthracene
SMILESc1ccc2c(OC3CCCCC3)c3ccccc3cc2c1
InChIInChI=1S/C20H20O/c1-2-10-17(11-3-1)21-20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20/h4-9,12-14,17H,1-3,10-11H2
InChIKeyVFWHQKDREGLJQK-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.70
Rot. Bonds2

About 9-cyclohexyloxyanthracene

9-cyclohexyloxyanthracene (PubChem CID 139783427) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 9-cyclohexyloxyanthracene.

Molecular Properties

Compound Name9-cyclohexyloxyanthracene
PubChem CID139783427
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name9-cyclohexyloxyanthracene
SMILESc1ccc2c(OC3CCCCC3)c3ccccc3cc2c1
InChIInChI=1S/C20H20O/c1-2-10-17(11-3-1)21-20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20/h4-9,12-14,17H,1-3,10-11H2
InChIKeyVFWHQKDREGLJQK-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.70
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-(1-cyclohexyloxynaphthalen-2-yl)ethanamine
CID 43475177
1-(chloromethyl)-3-cyclohexyloxynaphthalene
CID 146459949
(1-cyclohexyloxyisoquinolin-3-yl)methanamine
CID 62290253
anthracen-9-yl N,N-dicyclohexylcarbamate
CID 118876176
(1S)-1-(1-cyclopentyloxynaphthalen-2-yl)ethanol
CID 78933591
1,2-dicyclohexyloxybenzene
CID 67331328
1,8-dichloro-9,10-dicyclohexyloxyanthracene
CID 139930091
1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine
CID 62292060
(1-cyclobutyloxyisoquinolin-3-yl)methanamine
CID 62286989
(2-cyclohexyloxynaphthalen-1-yl)methanol
CID 43505781
9-(cyclohexylmethyl)anthracene
CID 173272896
9-(cycloheptylmethyl)anthracene
CID 173272889

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyloxyanthracene?
The IUPAC name of 9-cyclohexyloxyanthracene (CID 139783427) is 9-cyclohexyloxyanthracene.
What is the SMILES notation for 9-cyclohexyloxyanthracene?
The canonical SMILES for 9-cyclohexyloxyanthracene is c1ccc2c(OC3CCCCC3)c3ccccc3cc2c1.
What is the InChIKey of 9-cyclohexyloxyanthracene?
The InChIKey is VFWHQKDREGLJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-2-10-17(11-3-1)21-20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20/h4-9,12-14,17H,1-3,10-11H2.
What are the key properties of 9-cyclohexyloxyanthracene?
9-cyclohexyloxyanthracene has a molecular weight of 276.38 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyloxyanthracene is sourced from PubChem (CID 139783427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).