1-(6-methoxyhexoxy)-4-methylbenzene

C14H22O2 — CID 71108625

IUPAC1-(6-methoxyhexoxy)-4-methylbenzene
SMILESCOCCCCCCOc1ccc(C)cc1
InChIInChI=1S/C14H22O2/c1-13-7-9-14(10-8-13)16-12-6-4-3-5-11-15-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyUQNVNLOYVRMVOM-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.58
Rot. Bonds8

About 1-(6-methoxyhexoxy)-4-methylbenzene

1-(6-methoxyhexoxy)-4-methylbenzene (PubChem CID 71108625) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(6-methoxyhexoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(6-methoxyhexoxy)-4-methylbenzene
PubChem CID71108625
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(6-methoxyhexoxy)-4-methylbenzene
SMILESCOCCCCCCOc1ccc(C)cc1
InChIInChI=1S/C14H22O2/c1-13-7-9-14(10-8-13)16-12-6-4-3-5-11-15-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyUQNVNLOYVRMVOM-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(11-bromoundecoxy)-4-methylbenzene
CID 67541191
1-(9-bromononoxy)-4-methylbenzene
CID 105343245
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate
CID 23522622
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-isocyano-4-(6-methoxyhexoxy)benzene
CID 59524872
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
1-(6-methoxyhexoxy)-4-[4-(6-methoxyhexoxy)phenyl]sulfonylbenzene
CID 58939456
6-(4-methylphenoxy)hexyl formate
CID 143732521
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyhexoxy)-4-methylbenzene?
The IUPAC name of 1-(6-methoxyhexoxy)-4-methylbenzene (CID 71108625) is 1-(6-methoxyhexoxy)-4-methylbenzene.
What is the SMILES notation for 1-(6-methoxyhexoxy)-4-methylbenzene?
The canonical SMILES for 1-(6-methoxyhexoxy)-4-methylbenzene is COCCCCCCOc1ccc(C)cc1.
What is the InChIKey of 1-(6-methoxyhexoxy)-4-methylbenzene?
The InChIKey is UQNVNLOYVRMVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-13-7-9-14(10-8-13)16-12-6-4-3-5-11-15-2/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(6-methoxyhexoxy)-4-methylbenzene?
1-(6-methoxyhexoxy)-4-methylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyhexoxy)-4-methylbenzene is sourced from PubChem (CID 71108625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).