9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene

C20H24OS — CID 86045637

IUPAC9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene
SMILESCOCC1(CSCC(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H24OS/c1-15(2)12-22-14-20(13-21-3)18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15H,12-14H2,1-3H3
InChIKeyCOLLUBADFMPPIP-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.99
Rot. Bonds6

About 9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene

9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene (PubChem CID 86045637) has the molecular formula C20H24OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene.

Molecular Properties

Compound Name9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene
PubChem CID86045637
Molecular FormulaC20H24OS
Molecular Weight312.48 g/mol
Exact Mass312.15
IUPAC Name9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene
SMILESCOCC1(CSCC(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H24OS/c1-15(2)12-22-14-20(13-21-3)18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15H,12-14H2,1-3H3
InChIKeyCOLLUBADFMPPIP-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene?
The IUPAC name of 9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene (CID 86045637) is 9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene.
What is the SMILES notation for 9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene?
The canonical SMILES for 9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene is COCC1(CSCC(C)C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene?
The InChIKey is COLLUBADFMPPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24OS/c1-15(2)12-22-14-20(13-21-3)18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene?
9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene has a molecular weight of 312.48 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)-9-(2-methylpropylsulfanylmethyl)fluorene is sourced from PubChem (CID 86045637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).