3-cyclohexyloxypropylbenzene

C15H22O — CID 11672979

IUPAC3-cyclohexyloxypropylbenzene
SMILESc1ccc(CCCOC2CCCCC2)cc1
InChIInChI=1S/C15H22O/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1,3-4,8-9,15H,2,5-7,10-13H2
InChIKeyGDVIXADULMQSMC-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.97
Rot. Bonds5

About 3-cyclohexyloxypropylbenzene

3-cyclohexyloxypropylbenzene (PubChem CID 11672979) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-cyclohexyloxypropylbenzene.

Molecular Properties

Compound Name3-cyclohexyloxypropylbenzene
PubChem CID11672979
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-cyclohexyloxypropylbenzene
SMILESc1ccc(CCCOC2CCCCC2)cc1
InChIInChI=1S/C15H22O/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1,3-4,8-9,15H,2,5-7,10-13H2
InChIKeyGDVIXADULMQSMC-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxypropylbenzene?
The IUPAC name of 3-cyclohexyloxypropylbenzene (CID 11672979) is 3-cyclohexyloxypropylbenzene.
What is the SMILES notation for 3-cyclohexyloxypropylbenzene?
The canonical SMILES for 3-cyclohexyloxypropylbenzene is c1ccc(CCCOC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyloxypropylbenzene?
The InChIKey is GDVIXADULMQSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1,3-4,8-9,15H,2,5-7,10-13H2.
What are the key properties of 3-cyclohexyloxypropylbenzene?
3-cyclohexyloxypropylbenzene has a molecular weight of 218.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxypropylbenzene is sourced from PubChem (CID 11672979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).