1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene

C18H22O3 — CID 70193365

IUPAC1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene
SMILESCOCc1cccc(C)c1Oc1c(C)cccc1COC
InChIInChI=1S/C18H22O3/c1-13-7-5-9-15(11-19-3)17(13)21-18-14(2)8-6-10-16(18)12-20-4/h5-10H,11-12H2,1-4H3
InChIKeyFLYNIPHGUHVRHL-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.39
Rot. Bonds6

About 1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene

1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene (PubChem CID 70193365) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene.

Molecular Properties

Compound Name1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene
PubChem CID70193365
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene
SMILESCOCc1cccc(C)c1Oc1c(C)cccc1COC
InChIInChI=1S/C18H22O3/c1-13-7-5-9-15(11-19-3)17(13)21-18-14(2)8-6-10-16(18)12-20-4/h5-10H,11-12H2,1-4H3
InChIKeyFLYNIPHGUHVRHL-UHFFFAOYSA-N
XLogP4.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;[2-(methoxymethyl)-6-methylphenyl] 2-iodoacetate
CID 175235485
(2-methoxy-3-methylphenyl)methyl hydrogen carbonate
CID 66777091
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene
CID 151554514
tris(2,6-bis(methoxymethyl)benzenethiol);trihydrofluoride
CID 173023834
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
7-(methoxymethyl)-1-methylnaphthalene
CID 122580391
3-(methoxymethyl)-2-methylaniline
CID 14801184
1,6-bis(methoxymethyl)naphthalene
CID 68953678
2-[(2-methoxyphenyl)methoxy]-1,3-dimethylbenzene
CID 70895147
1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117415224
CID 11032416
CID 11032416

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene?
The IUPAC name of 1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene (CID 70193365) is 1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene.
What is the SMILES notation for 1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene?
The canonical SMILES for 1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene is COCc1cccc(C)c1Oc1c(C)cccc1COC.
What is the InChIKey of 1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene?
The InChIKey is FLYNIPHGUHVRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-13-7-5-9-15(11-19-3)17(13)21-18-14(2)8-6-10-16(18)12-20-4/h5-10H,11-12H2,1-4H3.
What are the key properties of 1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene?
1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene has a molecular weight of 286.37 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene is sourced from PubChem (CID 70193365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).