1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene

C17H26O3 — CID 59224001

IUPAC1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene
SMILESCOCCCOc1cc(C)ccc1OC1CCCCC1
InChIInChI=1S/C17H26O3/c1-14-9-10-16(20-15-7-4-3-5-8-15)17(13-14)19-12-6-11-18-2/h9-10,13,15H,3-8,11-12H2,1-2H3
InChIKeyQKAKIMZKWMQJGA-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.12
Rot. Bonds7

About 1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene

1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene (PubChem CID 59224001) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene
PubChem CID59224001
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene
SMILESCOCCCOc1cc(C)ccc1OC1CCCCC1
InChIInChI=1S/C17H26O3/c1-14-9-10-16(20-15-7-4-3-5-8-15)17(13-14)19-12-6-11-18-2/h9-10,13,15H,3-8,11-12H2,1-2H3
InChIKeyQKAKIMZKWMQJGA-UHFFFAOYSA-N
XLogP4.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.12
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene?
The IUPAC name of 1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene (CID 59224001) is 1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene.
What is the SMILES notation for 1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene?
The canonical SMILES for 1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene is COCCCOc1cc(C)ccc1OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene?
The InChIKey is QKAKIMZKWMQJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-14-9-10-16(20-15-7-4-3-5-8-15)17(13-14)19-12-6-11-18-2/h9-10,13,15H,3-8,11-12H2,1-2H3.
What are the key properties of 1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene?
1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene has a molecular weight of 278.39 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene is sourced from PubChem (CID 59224001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).