9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene

C19H22OS — CID 86045630

IUPAC9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene
SMILESCCCSCC1(COC)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H22OS/c1-3-12-21-14-19(13-20-2)17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11H,3,12-14H2,1-2H3
InChIKeyHSCURIACXHKKTL-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.74
Rot. Bonds6

About 9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene

9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene (PubChem CID 86045630) has the molecular formula C19H22OS and a molecular weight of 298.45 g/mol. Its IUPAC name is 9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene.

Molecular Properties

Compound Name9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene
PubChem CID86045630
Molecular FormulaC19H22OS
Molecular Weight298.45 g/mol
Exact Mass298.14
IUPAC Name9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene
SMILESCCCSCC1(COC)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H22OS/c1-3-12-21-14-19(13-20-2)17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11H,3,12-14H2,1-2H3
InChIKeyHSCURIACXHKKTL-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

9,9-Bis(methoxymethyl)-9H-fluorene
CID 11054211
3-Fluoro-9,9-bis(methoxymethyl)fluorene
CID 141427411
1-Tert-butyl-2-ethylsulfanylspiro[cyclopropene-3,9'-fluorene]
CID 11044993
(4S)-4-ethenyl-1',1',3',3'-tetramethylspiro[1,3-oxathiolane-2,2'-indene]
CID 11277350
1-Tert-butyl-2-propylsulfanylspiro[cyclopropene-3,9'-fluorene]
CID 15315865
1-Tert-butyl-2-butylsulfanylspiro[cyclopropene-3,9'-fluorene]
CID 15315866
1-Tert-butyl-2-hexylsulfanylspiro[cyclopropene-3,9'-fluorene]
CID 15315867
1-Tert-butyl-2-propan-2-ylsulfanylspiro[cyclopropene-3,9'-fluorene]
CID 15315868
9-(2-Methoxyethyl)-9H-fluorene
CID 15824126
9H-fluoren-9-ylmethyl 2-benzylsulfanylethynylsulfanylformate
CID 135063751
(2'S)-2'-(phenylsulfanylmethyl)spiro[1,3-dihydroindene-2,4'-oxolane]
CID 166445821
2-Ethoxyspiro[cyclopropane-1,9'-fluorene]
CID 10955554

Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene?
The IUPAC name of 9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene (CID 86045630) is 9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene.
What is the SMILES notation for 9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene?
The canonical SMILES for 9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene is CCCSCC1(COC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene?
The InChIKey is HSCURIACXHKKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22OS/c1-3-12-21-14-19(13-20-2)17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11H,3,12-14H2,1-2H3.
What are the key properties of 9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene?
9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene has a molecular weight of 298.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)-9-(propylsulfanylmethyl)fluorene is sourced from PubChem (CID 86045630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).