1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene

C17H20O2 — CID 59273396

IUPAC1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene
SMILESCOCC(Oc1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H20O2/c1-13-4-8-15(9-5-13)17(12-18-3)19-16-10-6-14(2)7-11-16/h4-11,17H,12H2,1-3H3
InChIKeyKBTSLSCPVJDKKL-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.07
Rot. Bonds5

About 1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene

1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene (PubChem CID 59273396) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene
PubChem CID59273396
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene
SMILESCOCC(Oc1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H20O2/c1-13-4-8-15(9-5-13)17(12-18-3)19-16-10-6-14(2)7-11-16/h4-11,17H,12H2,1-3H3
InChIKeyKBTSLSCPVJDKKL-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene
CID 57166946
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 118530461
1-[2-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzene
CID 114775095
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine
CID 104560552
4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol
CID 147998272
N,N-diethyl-2-(4-methylphenoxy)-2-phenylethanamine
CID 117067240
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990
1-(1-butoxyethoxy)-4-methylbenzene
CID 91451977
3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 103984749

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene?
The IUPAC name of 1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene (CID 59273396) is 1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene.
What is the SMILES notation for 1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene?
The canonical SMILES for 1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene is COCC(Oc1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene?
The InChIKey is KBTSLSCPVJDKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13-4-8-15(9-5-13)17(12-18-3)19-16-10-6-14(2)7-11-16/h4-11,17H,12H2,1-3H3.
What are the key properties of 1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene?
1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene has a molecular weight of 256.34 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene is sourced from PubChem (CID 59273396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).