2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane

C21H32O2 — CID 143210105

IUPAC2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane
SMILESCOC1CCC(c2ccc(CCC3CCC(C)CO3)cc2)CC1
InChIInChI=1S/C21H32O2/c1-16-3-11-21(23-15-16)12-6-17-4-7-18(8-5-17)19-9-13-20(22-2)14-10-19/h4-5,7-8,16,19-21H,3,6,9-15H2,1-2H3
InChIKeyBFLCWWPOIWZDDK-UHFFFAOYSA-N
MW316.49 g/mol
LogP5.11
Rot. Bonds5

About 2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane

2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane (PubChem CID 143210105) has the molecular formula C21H32O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane.

Molecular Properties

Compound Name2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane
PubChem CID143210105
Molecular FormulaC21H32O2
Molecular Weight316.49 g/mol
Exact Mass316.24
IUPAC Name2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane
SMILESCOC1CCC(c2ccc(CCC3CCC(C)CO3)cc2)CC1
InChIInChI=1S/C21H32O2/c1-16-3-11-21(23-15-16)12-6-17-4-7-18(8-5-17)19-9-13-20(22-2)14-10-19/h4-5,7-8,16,19-21H,3,6,9-15H2,1-2H3
InChIKeyBFLCWWPOIWZDDK-UHFFFAOYSA-N
XLogP5.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-[2-(4-methoxycyclohexyl)ethyl]phenyl]-2-propyloxane
CID 58620495
5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane
CID 58620522
5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane
CID 89008540
2-heptyl-5-(4-octylphenyl)oxane
CID 21247893
2-heptyl-5-(4-heptylphenyl)oxane
CID 21247540
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane
CID 143210053
5-methoxy-2-[4-(4-methoxycyclohexyl)phenyl]-1,3,2-dioxaborinane
CID 139617313
2-methoxy-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane
CID 58620526
5-(4-ethylphenyl)-2-pentyloxane
CID 21247840
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene
CID 59940202

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane?
The IUPAC name of 2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane (CID 143210105) is 2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane.
What is the SMILES notation for 2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane?
The canonical SMILES for 2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane is COC1CCC(c2ccc(CCC3CCC(C)CO3)cc2)CC1.
What is the InChIKey of 2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane?
The InChIKey is BFLCWWPOIWZDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O2/c1-16-3-11-21(23-15-16)12-6-17-4-7-18(8-5-17)19-9-13-20(22-2)14-10-19/h4-5,7-8,16,19-21H,3,6,9-15H2,1-2H3.
What are the key properties of 2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane?
2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane has a molecular weight of 316.49 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane is sourced from PubChem (CID 143210105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).