1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene

C16H17FO2 — CID 104795197

IUPAC1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
SMILESCCc1ccccc1OCc1cccc(OC)c1F
InChIInChI=1S/C16H17FO2/c1-3-12-7-4-5-9-14(12)19-11-13-8-6-10-15(18-2)16(13)17/h4-10H,3,11H2,1-2H3
InChIKeyBSNPPSHXZLYBLL-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.98
Rot. Bonds5

About 1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene

1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene (PubChem CID 104795197) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene.

Molecular Properties

Compound Name1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
PubChem CID104795197
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
SMILESCCc1ccccc1OCc1cccc(OC)c1F
InChIInChI=1S/C16H17FO2/c1-3-12-7-4-5-9-14(12)19-11-13-8-6-10-15(18-2)16(13)17/h4-10H,3,11H2,1-2H3
InChIKeyBSNPPSHXZLYBLL-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
3-[(2-ethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107119721
1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 104791282
2-[(2-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64766047
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
CID 104791271
(2-fluoro-3-methoxyphenyl)methyl methanesulfonate
CID 59479330
1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104792542
2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308
4-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792136
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
2,3-bis[(2-ethylphenoxy)methyl]phenol
CID 67177980

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene?
The IUPAC name of 1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene (CID 104795197) is 1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene.
What is the SMILES notation for 1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene?
The canonical SMILES for 1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene is CCc1ccccc1OCc1cccc(OC)c1F.
What is the InChIKey of 1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene?
The InChIKey is BSNPPSHXZLYBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-3-12-7-4-5-9-14(12)19-11-13-8-6-10-15(18-2)16(13)17/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene?
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene has a molecular weight of 260.31 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene is sourced from PubChem (CID 104795197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).