2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene

C17H20O2 — CID 64765116

IUPAC2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
SMILESCCc1cccc(OCc2cc(C)ccc2OC)c1
InChIInChI=1S/C17H20O2/c1-4-14-6-5-7-16(11-14)19-12-15-10-13(2)8-9-17(15)18-3/h5-11H,4,12H2,1-3H3
InChIKeyUDJQSJSXTAHEKF-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.15
Rot. Bonds5

About 2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene

2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene (PubChem CID 64765116) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
PubChem CID64765116
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
SMILESCCc1cccc(OCc2cc(C)ccc2OC)c1
InChIInChI=1S/C17H20O2/c1-4-14-6-5-7-16(11-14)19-12-15-10-13(2)8-9-17(15)18-3/h5-11H,4,12H2,1-3H3
InChIKeyUDJQSJSXTAHEKF-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370
1-ethyl-3-[(2-methoxyphenyl)methoxy]benzene
CID 60656964
3-[(2-methoxy-5-methylphenyl)methoxy]phenol
CID 62159960
3-[(2-methoxy-5-methylphenyl)methoxy]aniline
CID 61034710
(E)-3-[3-[(3-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
CID 6033776
2-[(2-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64766047
1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene
CID 57398314
2-fluoro-1-[(2-methoxy-5-methylphenyl)methoxy]-3-methylbenzene
CID 107662038
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
(1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol
CID 78934350
4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene (CID 64765116) is 2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene is CCc1cccc(OCc2cc(C)ccc2OC)c1.
What is the InChIKey of 2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene?
The InChIKey is UDJQSJSXTAHEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-4-14-6-5-7-16(11-14)19-12-15-10-13(2)8-9-17(15)18-3/h5-11H,4,12H2,1-3H3.
What are the key properties of 2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene?
2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene has a molecular weight of 256.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 64765116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).