9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene

C19H22OS — CID 86045633

IUPAC9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene
SMILESCOCC1(CSC(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H22OS/c1-14(2)21-13-19(12-20-3)17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14H,12-13H2,1-3H3
InChIKeyROCADKVHNILHBZ-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.74
Rot. Bonds5

About 9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene

9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene (PubChem CID 86045633) has the molecular formula C19H22OS and a molecular weight of 298.45 g/mol. Its IUPAC name is 9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene.

Molecular Properties

Compound Name9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene
PubChem CID86045633
Molecular FormulaC19H22OS
Molecular Weight298.45 g/mol
Exact Mass298.14
IUPAC Name9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene
SMILESCOCC1(CSC(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H22OS/c1-14(2)21-13-19(12-20-3)17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14H,12-13H2,1-3H3
InChIKeyROCADKVHNILHBZ-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene?
The IUPAC name of 9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene (CID 86045633) is 9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene.
What is the SMILES notation for 9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene?
The canonical SMILES for 9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene is COCC1(CSC(C)C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene?
The InChIKey is ROCADKVHNILHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22OS/c1-14(2)21-13-19(12-20-3)17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene?
9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene has a molecular weight of 298.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)-9-(propan-2-ylsulfanylmethyl)fluorene is sourced from PubChem (CID 86045633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).