9-(cyclohexylmethyl)anthracene

C21H22 — CID 173272896

IUPAC9-(cyclohexylmethyl)anthracene
SMILESc1ccc2c(CC3CCCCC3)c3ccccc3cc2c1
InChIInChI=1S/C21H22/c1-2-8-16(9-3-1)14-21-19-12-6-4-10-17(19)15-18-11-5-7-13-20(18)21/h4-7,10-13,15-16H,1-3,8-9,14H2
InChIKeyKMUHPIKZCPJRFY-UHFFFAOYSA-N
MW274.41 g/mol
LogP6.12
Rot. Bonds2

About 9-(cyclohexylmethyl)anthracene

9-(cyclohexylmethyl)anthracene (PubChem CID 173272896) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 9-(cyclohexylmethyl)anthracene.

Molecular Properties

Compound Name9-(cyclohexylmethyl)anthracene
PubChem CID173272896
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name9-(cyclohexylmethyl)anthracene
SMILESc1ccc2c(CC3CCCCC3)c3ccccc3cc2c1
InChIInChI=1S/C21H22/c1-2-8-16(9-3-1)14-21-19-12-6-4-10-17(19)15-18-11-5-7-13-20(18)21/h4-7,10-13,15-16H,1-3,8-9,14H2
InChIKeyKMUHPIKZCPJRFY-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(cycloheptylmethyl)anthracene
CID 173272889
1-(cyclononylmethyl)anthracene
CID 173272600
2-(anthracen-9-ylmethyl)oxirane
CID 54367420
1-[[2-(cyclohexylmethyl)-3-methylphenyl]methyl]naphthalene
CID 173186936
2-(cyclohexylmethyl)naphthalen-1-ol
CID 15617835
9-[7-anthracen-9-yl-2-(cyclohexylmethyl)-1H-inden-4-yl]anthracene
CID 87142144
9-cyclohexyloxyanthracene
CID 139783427
1-(2-bromo-3-cycloheptylpropyl)naphthalene
CID 114458974
[2-(cyclohexylmethyl)phenyl]methanamine
CID 105455805
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
6-(cyclohexylmethyl)-8,9-dihydroisoquinolino[1,2-a]isoquinolin-7-ium
CID 46930835
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695

Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexylmethyl)anthracene?
The IUPAC name of 9-(cyclohexylmethyl)anthracene (CID 173272896) is 9-(cyclohexylmethyl)anthracene.
What is the SMILES notation for 9-(cyclohexylmethyl)anthracene?
The canonical SMILES for 9-(cyclohexylmethyl)anthracene is c1ccc2c(CC3CCCCC3)c3ccccc3cc2c1.
What is the InChIKey of 9-(cyclohexylmethyl)anthracene?
The InChIKey is KMUHPIKZCPJRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-2-8-16(9-3-1)14-21-19-12-6-4-10-17(19)15-18-11-5-7-13-20(18)21/h4-7,10-13,15-16H,1-3,8-9,14H2.
What are the key properties of 9-(cyclohexylmethyl)anthracene?
9-(cyclohexylmethyl)anthracene has a molecular weight of 274.41 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylmethyl)anthracene is sourced from PubChem (CID 173272896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).