9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene

C21H24OS — CID 86045640

IUPAC9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene
SMILESCOCC1(CSC2CCCC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H24OS/c1-22-14-21(15-23-16-8-2-3-9-16)19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,16H,2-3,8-9,14-15H2,1H3
InChIKeyIQIYBJSMHSJJCG-UHFFFAOYSA-N
MW324.49 g/mol
LogP5.28
Rot. Bonds5

About 9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene

9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene (PubChem CID 86045640) has the molecular formula C21H24OS and a molecular weight of 324.49 g/mol. Its IUPAC name is 9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene.

Molecular Properties

Compound Name9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene
PubChem CID86045640
Molecular FormulaC21H24OS
Molecular Weight324.49 g/mol
Exact Mass324.15
IUPAC Name9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene
SMILESCOCC1(CSC2CCCC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H24OS/c1-22-14-21(15-23-16-8-2-3-9-16)19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,16H,2-3,8-9,14-15H2,1H3
InChIKeyIQIYBJSMHSJJCG-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene?
The IUPAC name of 9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene (CID 86045640) is 9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene.
What is the SMILES notation for 9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene?
The canonical SMILES for 9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene is COCC1(CSC2CCCC2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene?
The InChIKey is IQIYBJSMHSJJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24OS/c1-22-14-21(15-23-16-8-2-3-9-16)19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,16H,2-3,8-9,14-15H2,1H3.
What are the key properties of 9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene?
9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene has a molecular weight of 324.49 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopentylsulfanylmethyl)-9-(methoxymethyl)fluorene is sourced from PubChem (CID 86045640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).