9-(cycloheptylmethyl)anthracene

C22H24 — CID 173272889

IUPAC9-(cycloheptylmethyl)anthracene
SMILESc1ccc2c(CC3CCCCCC3)c3ccccc3cc2c1
InChIInChI=1S/C22H24/c1-2-4-10-17(9-3-1)15-22-20-13-7-5-11-18(20)16-19-12-6-8-14-21(19)22/h5-8,11-14,16-17H,1-4,9-10,15H2
InChIKeyKOMABOPHMCPTOB-UHFFFAOYSA-N
MW288.43 g/mol
LogP6.51
Rot. Bonds2

About 9-(cycloheptylmethyl)anthracene

9-(cycloheptylmethyl)anthracene (PubChem CID 173272889) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 9-(cycloheptylmethyl)anthracene.

Molecular Properties

Compound Name9-(cycloheptylmethyl)anthracene
PubChem CID173272889
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name9-(cycloheptylmethyl)anthracene
SMILESc1ccc2c(CC3CCCCCC3)c3ccccc3cc2c1
InChIInChI=1S/C22H24/c1-2-4-10-17(9-3-1)15-22-20-13-7-5-11-18(20)16-19-12-6-8-14-21(19)22/h5-8,11-14,16-17H,1-4,9-10,15H2
InChIKeyKOMABOPHMCPTOB-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.51
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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Frequently Asked Questions

What is the IUPAC name of 9-(cycloheptylmethyl)anthracene?
The IUPAC name of 9-(cycloheptylmethyl)anthracene (CID 173272889) is 9-(cycloheptylmethyl)anthracene.
What is the SMILES notation for 9-(cycloheptylmethyl)anthracene?
The canonical SMILES for 9-(cycloheptylmethyl)anthracene is c1ccc2c(CC3CCCCCC3)c3ccccc3cc2c1.
What is the InChIKey of 9-(cycloheptylmethyl)anthracene?
The InChIKey is KOMABOPHMCPTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-2-4-10-17(9-3-1)15-22-20-13-7-5-11-18(20)16-19-12-6-8-14-21(19)22/h5-8,11-14,16-17H,1-4,9-10,15H2.
What are the key properties of 9-(cycloheptylmethyl)anthracene?
9-(cycloheptylmethyl)anthracene has a molecular weight of 288.43 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cycloheptylmethyl)anthracene is sourced from PubChem (CID 173272889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).