1-(3-cyclohexyloxypropyl)-4-methylbenzene

C16H24O — CID 59931440

IUPAC1-(3-cyclohexyloxypropyl)-4-methylbenzene
SMILESCc1ccc(CCCOC2CCCCC2)cc1
InChIInChI=1S/C16H24O/c1-14-9-11-15(12-10-14)6-5-13-17-16-7-3-2-4-8-16/h9-12,16H,2-8,13H2,1H3
InChIKeyFUDPDXOPCPNRDM-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.28
Rot. Bonds5

About 1-(3-cyclohexyloxypropyl)-4-methylbenzene

1-(3-cyclohexyloxypropyl)-4-methylbenzene (PubChem CID 59931440) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(3-cyclohexyloxypropyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(3-cyclohexyloxypropyl)-4-methylbenzene
PubChem CID59931440
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(3-cyclohexyloxypropyl)-4-methylbenzene
SMILESCc1ccc(CCCOC2CCCCC2)cc1
InChIInChI=1S/C16H24O/c1-14-9-11-15(12-10-14)6-5-13-17-16-7-3-2-4-8-16/h9-12,16H,2-8,13H2,1H3
InChIKeyFUDPDXOPCPNRDM-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.28
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-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine
CID 63903014
4-(4-methylphenyl)butyl N-cyclohexylcarbamate
CID 90359705
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 63645848
3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
CID 80707820
3-methoxypropoxycyclooctane
CID 68608033
1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
CID 59265586

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxypropyl)-4-methylbenzene?
The IUPAC name of 1-(3-cyclohexyloxypropyl)-4-methylbenzene (CID 59931440) is 1-(3-cyclohexyloxypropyl)-4-methylbenzene.
What is the SMILES notation for 1-(3-cyclohexyloxypropyl)-4-methylbenzene?
The canonical SMILES for 1-(3-cyclohexyloxypropyl)-4-methylbenzene is Cc1ccc(CCCOC2CCCCC2)cc1.
What is the InChIKey of 1-(3-cyclohexyloxypropyl)-4-methylbenzene?
The InChIKey is FUDPDXOPCPNRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-14-9-11-15(12-10-14)6-5-13-17-16-7-3-2-4-8-16/h9-12,16H,2-8,13H2,1H3.
What are the key properties of 1-(3-cyclohexyloxypropyl)-4-methylbenzene?
1-(3-cyclohexyloxypropyl)-4-methylbenzene has a molecular weight of 232.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxypropyl)-4-methylbenzene is sourced from PubChem (CID 59931440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).