1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene

C15H22O2 — CID 58376673

IUPAC1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene
SMILESCc1ccc(COCC(C)COC2CC2)cc1
InChIInChI=1S/C15H22O2/c1-12-3-5-14(6-4-12)11-16-9-13(2)10-17-15-7-8-15/h3-6,13,15H,7-11H2,1-2H3
InChIKeyICCIDCUUZWUEHN-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.33
Rot. Bonds7

About 1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene

1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene (PubChem CID 58376673) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene
PubChem CID58376673
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene
SMILESCc1ccc(COCC(C)COC2CC2)cc1
InChIInChI=1S/C15H22O2/c1-12-3-5-14(6-4-12)11-16-9-13(2)10-17-15-7-8-15/h3-6,13,15H,7-11H2,1-2H3
InChIKeyICCIDCUUZWUEHN-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-1-[(4-methylphenyl)methoxy]pentan-2-amine
CID 35753835
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine
CID 143482271
1-[(4-methylphenyl)methoxy]propan-2-yl formate
CID 58861581
4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine
CID 20735352
4-(2-methylpropoxymethyl)phenol
CID 11159667
1-methyl-4-(octoxymethyl)benzene
CID 86156710
1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
1-(iodomethoxymethyl)-4-methylbenzene
CID 146521641
2-cyclopentyloxy-1-(4-methylphenyl)ethanamine
CID 16787694
4-(2-methylbutoxymethyl)aniline
CID 62103627
1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
CID 59265586

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene?
The IUPAC name of 1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene (CID 58376673) is 1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene?
The canonical SMILES for 1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene is Cc1ccc(COCC(C)COC2CC2)cc1.
What is the InChIKey of 1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene?
The InChIKey is ICCIDCUUZWUEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12-3-5-14(6-4-12)11-16-9-13(2)10-17-15-7-8-15/h3-6,13,15H,7-11H2,1-2H3.
What are the key properties of 1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene?
1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene has a molecular weight of 234.34 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyloxy-2-methylpropoxy)methyl]-4-methylbenzene is sourced from PubChem (CID 58376673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).