1-methyl-4-(4-pentylcyclohexyl)oxybenzene

C18H28O — CID 20667925

IUPAC1-methyl-4-(4-pentylcyclohexyl)oxybenzene
SMILESCCCCCC1CCC(Oc2ccc(C)cc2)CC1
InChIInChI=1S/C18H28O/c1-3-4-5-6-16-9-13-18(14-10-16)19-17-11-7-15(2)8-12-17/h7-8,11-12,16,18H,3-6,9-10,13-14H2,1-2H3
InChIKeyATFBXVBFLHOUJN-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.51
Rot. Bonds6

About 1-methyl-4-(4-pentylcyclohexyl)oxybenzene

1-methyl-4-(4-pentylcyclohexyl)oxybenzene (PubChem CID 20667925) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-methyl-4-(4-pentylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name1-methyl-4-(4-pentylcyclohexyl)oxybenzene
PubChem CID20667925
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-methyl-4-(4-pentylcyclohexyl)oxybenzene
SMILESCCCCCC1CCC(Oc2ccc(C)cc2)CC1
InChIInChI=1S/C18H28O/c1-3-4-5-6-16-9-13-18(14-10-16)19-17-11-7-15(2)8-12-17/h7-8,11-12,16,18H,3-6,9-10,13-14H2,1-2H3
InChIKeyATFBXVBFLHOUJN-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.51
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-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947
1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene
CID 59265311
1-[3-(4-nonylcyclohexyl)propoxy]-4-[4-[3-(4-nonylcyclohexyl)propoxy]phenyl]benzene
CID 19738837
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
azane;hexylcyclopropane
CID 135322230

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-pentylcyclohexyl)oxybenzene?
The IUPAC name of 1-methyl-4-(4-pentylcyclohexyl)oxybenzene (CID 20667925) is 1-methyl-4-(4-pentylcyclohexyl)oxybenzene.
What is the SMILES notation for 1-methyl-4-(4-pentylcyclohexyl)oxybenzene?
The canonical SMILES for 1-methyl-4-(4-pentylcyclohexyl)oxybenzene is CCCCCC1CCC(Oc2ccc(C)cc2)CC1.
What is the InChIKey of 1-methyl-4-(4-pentylcyclohexyl)oxybenzene?
The InChIKey is ATFBXVBFLHOUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-4-5-6-16-9-13-18(14-10-16)19-17-11-7-15(2)8-12-17/h7-8,11-12,16,18H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of 1-methyl-4-(4-pentylcyclohexyl)oxybenzene?
1-methyl-4-(4-pentylcyclohexyl)oxybenzene has a molecular weight of 260.42 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-pentylcyclohexyl)oxybenzene is sourced from PubChem (CID 20667925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).