ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene

C14H23FO — CID 168958922

IUPACethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene
SMILESCC.CCCc1cc(OC)c(CC)cc1F
InChIInChI=1S/C12H17FO.C2H6/c1-4-6-10-8-12(14-3)9(5-2)7-11(10)13;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyOBTXRAHGKRTSQM-UHFFFAOYSA-N
MW226.33 g/mol
LogP4.38
Rot. Bonds4

About ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene

ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene (PubChem CID 168958922) has the molecular formula C14H23FO and a molecular weight of 226.33 g/mol. Its IUPAC name is ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene.

Molecular Properties

Compound Nameethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene
PubChem CID168958922
Molecular FormulaC14H23FO
Molecular Weight226.33 g/mol
Exact Mass226.17
IUPAC Nameethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene
SMILESCC.CCCc1cc(OC)c(CC)cc1F
InChIInChI=1S/C12H17FO.C2H6/c1-4-6-10-8-12(14-3)9(5-2)7-11(10)13;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyOBTXRAHGKRTSQM-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-4-methoxy-2-propylaniline
CID 130537729
2,5-diethyl-4-methoxyphenol
CID 162375149
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
3-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-1-ol
CID 117303114
3-(2,5-difluoro-4-methoxyphenyl)propanal
CID 73014070
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
1,5-difluoro-2-methoxy-3-propylbenzene
CID 176962400
2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 165123651
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
CID 15915366
2-[4-(bromomethyl)-2-fluoro-5-methoxyphenyl]acetonitrile
CID 130132944
1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol
CID 117303123
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene?
The IUPAC name of ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene (CID 168958922) is ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene.
What is the SMILES notation for ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene?
The canonical SMILES for ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene is CC.CCCc1cc(OC)c(CC)cc1F.
What is the InChIKey of ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene?
The InChIKey is OBTXRAHGKRTSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO.C2H6/c1-4-6-10-8-12(14-3)9(5-2)7-11(10)13;1-2/h7-8H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene?
ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene has a molecular weight of 226.33 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-5-fluoro-2-methoxy-4-propylbenzene is sourced from PubChem (CID 168958922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).