2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane

C21H32O — CID 143210170

IUPAC2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane
SMILESCc1ccc(C2CCC(CCC3CCC(C)CC3)OC2)cc1
InChIInChI=1S/C21H32O/c1-16-3-7-18(8-4-16)9-13-21-14-12-20(15-22-21)19-10-5-17(2)6-11-19/h5-6,10-11,16,18,20-21H,3-4,7-9,12-15H2,1-2H3
InChIKeyUJJBUCZFRRENKT-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.86
Rot. Bonds4

About 2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane

2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane (PubChem CID 143210170) has the molecular formula C21H32O and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane.

Molecular Properties

Compound Name2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane
PubChem CID143210170
Molecular FormulaC21H32O
Molecular Weight300.49 g/mol
Exact Mass300.25
IUPAC Name2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane
SMILESCc1ccc(C2CCC(CCC3CCC(C)CC3)OC2)cc1
InChIInChI=1S/C21H32O/c1-16-3-7-18(8-4-16)9-13-21-14-12-20(15-22-21)19-10-5-17(2)6-11-19/h5-6,10-11,16,18,20-21H,3-4,7-9,12-15H2,1-2H3
InChIKeyUJJBUCZFRRENKT-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;ethene;4-[6-[2-(4-methylcyclohexyl)ethyl]oxan-3-yl]phenol
CID 143210065
5-(4-methylphenyl)-2-propyloxane
CID 21247988
5-(4-methylphenyl)-2-pentyloxane
CID 21248084
5-(2,3-difluoro-4-methylphenyl)-2-[2-(4-methylcyclohexyl)ethyl]oxane
CID 21337869
2-[2-(4-methylcyclohexyl)ethyl]oxirane
CID 58971302
2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane
CID 146254030
5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
CID 58620495
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
5-(4-ethylphenyl)-2-pentyloxane
CID 21247840
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
2-octyl-5-(4-phenylphenyl)oxane
CID 21247738
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane?
The IUPAC name of 2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane (CID 143210170) is 2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane.
What is the SMILES notation for 2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane?
The canonical SMILES for 2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane is Cc1ccc(C2CCC(CCC3CCC(C)CC3)OC2)cc1.
What is the InChIKey of 2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane?
The InChIKey is UJJBUCZFRRENKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O/c1-16-3-7-18(8-4-16)9-13-21-14-12-20(15-22-21)19-10-5-17(2)6-11-19/h5-6,10-11,16,18,20-21H,3-4,7-9,12-15H2,1-2H3.
What are the key properties of 2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane?
2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane has a molecular weight of 300.49 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane is sourced from PubChem (CID 143210170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).