1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate

C19H23FO4 — CID 144933730

IUPAC1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate
SMILESCCc1cccc(OC)c1COc1cc(C)ccc1F.COC=O
InChIInChI=1S/C17H19FO2.C2H4O2/c1-4-13-6-5-7-16(19-3)14(13)11-20-17-10-12(2)8-9-15(17)18;1-4-2-3/h5-10H,4,11H2,1-3H3;2H,1H3
InChIKeyXJRNMCIDLDJBRV-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.07
Rot. Bonds6

About 1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate

1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate (PubChem CID 144933730) has the molecular formula C19H23FO4 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate.

Molecular Properties

Compound Name1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate
PubChem CID144933730
Molecular FormulaC19H23FO4
Molecular Weight334.39 g/mol
Exact Mass334.16
IUPAC Name1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate
SMILESCCc1cccc(OC)c1COc1cc(C)ccc1F.COC=O
InChIInChI=1S/C17H19FO2.C2H4O2/c1-4-13-6-5-7-16(19-3)14(13)11-20-17-10-12(2)8-9-15(17)18;1-4-2-3/h5-10H,4,11H2,1-3H3;2H,1H3
InChIKeyXJRNMCIDLDJBRV-UHFFFAOYSA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene
CID 144860819
1-chloro-4,5-difluoro-2-[(2-fluoro-6-methoxyphenyl)methoxy]benzene;methyl formate
CID 144861284
[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine
CID 107114161
2-[(2-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64766047
2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline
CID 118244149
2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine
CID 64854335
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103912314
1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
CID 64853757
6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine
CID 66993758
1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene
CID 64854337
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039243

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate?
The IUPAC name of 1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate (CID 144933730) is 1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate.
What is the SMILES notation for 1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate?
The canonical SMILES for 1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate is CCc1cccc(OC)c1COc1cc(C)ccc1F.COC=O.
What is the InChIKey of 1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate?
The InChIKey is XJRNMCIDLDJBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2.C2H4O2/c1-4-13-6-5-7-16(19-3)14(13)11-20-17-10-12(2)8-9-15(17)18;1-4-2-3/h5-10H,4,11H2,1-3H3;2H,1H3.
What are the key properties of 1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate?
1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate has a molecular weight of 334.39 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-fluoro-5-methylphenoxy)methyl]-3-methoxybenzene;methyl formate is sourced from PubChem (CID 144933730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).