1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene

C15H24O3 — CID 21060139

IUPAC1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene
SMILESCOCCOCc1cc(C)cc(OC(C)(C)C)c1
InChIInChI=1S/C15H24O3/c1-12-8-13(11-17-7-6-16-5)10-14(9-12)18-15(2,3)4/h8-10H,6-7,11H2,1-5H3
InChIKeyVMAICFCYRNOHAL-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.34
Rot. Bonds6

About 1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene

1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 21060139) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID21060139
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene
SMILESCOCCOCc1cc(C)cc(OC(C)(C)C)c1
InChIInChI=1S/C15H24O3/c1-12-8-13(11-17-7-6-16-5)10-14(9-12)18-15(2,3)4/h8-10H,6-7,11H2,1-5H3
InChIKeyVMAICFCYRNOHAL-UHFFFAOYSA-N
XLogP3.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene
CID 58005605
3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560296
1-methoxy-3-(2-methoxyethyl)-5-methylbenzene
CID 91216321
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
2,6-dichloro-4-(2-methoxyethoxymethyl)pyridine
CID 119088450
N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 59817672
1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene
CID 174779911
[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 21060332
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
1-(6-bromohexoxymethyl)-3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 54771674
3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol
CID 107679911
1-(2-methoxyethyl)-3,5-dimethylbenzene
CID 145478416

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene (CID 21060139) is 1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene is COCCOCc1cc(C)cc(OC(C)(C)C)c1.
What is the InChIKey of 1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is VMAICFCYRNOHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-12-8-13(11-17-7-6-16-5)10-14(9-12)18-15(2,3)4/h8-10H,6-7,11H2,1-5H3.
What are the key properties of 1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene?
1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 252.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 21060139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).