2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene

C14H21FOS — CID 144792013

IUPAC2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene
SMILESCCc1c(C)cc(OCCCSC)c(F)c1C
InChIInChI=1S/C14H21FOS/c1-5-12-10(2)9-13(14(15)11(12)3)16-7-6-8-17-4/h9H,5-8H2,1-4H3
InChIKeyCOILFDRDKSVHIZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.14
Rot. Bonds6

About 2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene

2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene (PubChem CID 144792013) has the molecular formula C14H21FOS and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene.

Molecular Properties

Compound Name2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene
PubChem CID144792013
Molecular FormulaC14H21FOS
Molecular Weight256.39 g/mol
Exact Mass256.13
IUPAC Name2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene
SMILESCCc1c(C)cc(OCCCSC)c(F)c1C
InChIInChI=1S/C14H21FOS/c1-5-12-10(2)9-13(14(15)11(12)3)16-7-6-8-17-4/h9H,5-8H2,1-4H3
InChIKeyCOILFDRDKSVHIZ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.14
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

5-fluoro-2-methyl-4-(3-methylsulfanylpropoxy)aniline
CID 114415919
1-fluoro-2-(3-methylsulfanylpropoxy)benzene
CID 115647517
1-bromo-2-methyl-3-(3-methylsulfanylpropoxy)benzene
CID 86697160
(1R)-1-[3-fluoro-4-(3-methylsulfanylpropoxy)phenyl]ethanamine
CID 104863322
2-(3-ethylsulfanylpropoxy)-4-fluoro-1-methylbenzene
CID 102975398
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene
CID 143548000
3-[6-fluoro-3-[3-[3-fluoro-2,6-dimethyl-4-(3-methylsulfanylpropoxy)phenyl]phenyl]-3,4-dihydro-2H-1,4-benzoxazin-7-yl]propanoic acid
CID 144792036
N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696513
1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene
CID 164892495
1,2-difluoro-3-(2-methylsulfanylethoxy)benzene
CID 103907571
1-butoxy-4-methyl-2-methylsulfanylbenzene
CID 22950612

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene?
The IUPAC name of 2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene (CID 144792013) is 2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene.
What is the SMILES notation for 2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene?
The canonical SMILES for 2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene is CCc1c(C)cc(OCCCSC)c(F)c1C.
What is the InChIKey of 2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene?
The InChIKey is COILFDRDKSVHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FOS/c1-5-12-10(2)9-13(14(15)11(12)3)16-7-6-8-17-4/h9H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene?
2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene has a molecular weight of 256.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-1,3-dimethyl-5-(3-methylsulfanylpropoxy)benzene is sourced from PubChem (CID 144792013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).