1-(hexoxymethyl)-3-methylbenzene

C14H22O — CID 91805813

IUPAC1-(hexoxymethyl)-3-methylbenzene
SMILESCCCCCCOCc1cccc(C)c1
InChIInChI=1S/C14H22O/c1-3-4-5-6-10-15-12-14-9-7-8-13(2)11-14/h7-9,11H,3-6,10,12H2,1-2H3
InChIKeyQTRZHTUQXMRDFG-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.09
Rot. Bonds7

About 1-(hexoxymethyl)-3-methylbenzene

1-(hexoxymethyl)-3-methylbenzene (PubChem CID 91805813) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(hexoxymethyl)-3-methylbenzene.

Molecular Properties

Compound Name1-(hexoxymethyl)-3-methylbenzene
PubChem CID91805813
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(hexoxymethyl)-3-methylbenzene
SMILESCCCCCCOCc1cccc(C)c1
InChIInChI=1S/C14H22O/c1-3-4-5-6-10-15-12-14-9-7-8-13(2)11-14/h7-9,11H,3-6,10,12H2,1-2H3
InChIKeyQTRZHTUQXMRDFG-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
1-methyl-4-(octoxymethyl)benzene
CID 86156710
azane;hexoxymethylbenzene
CID 174805489
[3-(heptoxymethyl)phenyl]boronic acid
CID 54971032
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
N-heptyl-N-[4-[[3-[3-[4-[heptyl(octyl)amino]butoxymethyl]phenyl]phenyl]methoxy]butyl]octan-1-amine
CID 139955843
N-[[3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63492481
3-(hexoxymethyl)benzenecarbothioamide
CID 29002420
2-(octoxymethyl)naphthalene
CID 101192870

Frequently Asked Questions

What is the IUPAC name of 1-(hexoxymethyl)-3-methylbenzene?
The IUPAC name of 1-(hexoxymethyl)-3-methylbenzene (CID 91805813) is 1-(hexoxymethyl)-3-methylbenzene.
What is the SMILES notation for 1-(hexoxymethyl)-3-methylbenzene?
The canonical SMILES for 1-(hexoxymethyl)-3-methylbenzene is CCCCCCOCc1cccc(C)c1.
What is the InChIKey of 1-(hexoxymethyl)-3-methylbenzene?
The InChIKey is QTRZHTUQXMRDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-4-5-6-10-15-12-14-9-7-8-13(2)11-14/h7-9,11H,3-6,10,12H2,1-2H3.
What are the key properties of 1-(hexoxymethyl)-3-methylbenzene?
1-(hexoxymethyl)-3-methylbenzene has a molecular weight of 206.33 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexoxymethyl)-3-methylbenzene is sourced from PubChem (CID 91805813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).