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

C21H32O2 — CID 143210053

IUPAC2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane
SMILESCOc1ccc(CCC2CCC(C3CCC(C)CC3)CO2)cc1
InChIInChI=1S/C21H32O2/c1-16-3-8-18(9-4-16)19-10-14-21(23-15-19)13-7-17-5-11-20(22-2)12-6-17/h5-6,11-12,16,18-19,21H,3-4,7-10,13-15H2,1-2H3
InChIKeyBQVKYHLMAREPOO-UHFFFAOYSA-N
MW316.49 g/mol
LogP5.25
Rot. Bonds5

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

2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane (PubChem CID 143210053) has the molecular formula C21H32O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane
PubChem CID143210053
Molecular FormulaC21H32O2
Molecular Weight316.49 g/mol
Exact Mass316.24
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane
SMILESCOc1ccc(CCC2CCC(C3CCC(C)CC3)CO2)cc1
InChIInChI=1S/C21H32O2/c1-16-3-8-18(9-4-16)19-10-14-21(23-15-19)13-7-17-5-11-20(22-2)12-6-17/h5-6,11-12,16,18-19,21H,3-4,7-10,13-15H2,1-2H3
InChIKeyBQVKYHLMAREPOO-UHFFFAOYSA-N
XLogP5.25
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 ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methoxycyclohexyl)-2-[2-(4-propylphenyl)ethyl]oxane
CID 58620522
2-[2-(4-methoxyphenyl)ethyl]-5-pentyl-1,4-dioxane
CID 57282111
2-[2-[4-(4-methoxycyclohexyl)phenyl]ethyl]-5-methyloxane
CID 143210105
5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane
CID 89008540
[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine
CID 81011075
(2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane
CID 162820309
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
CID 18656557
2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane
CID 88773200
(4S)-4-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidin-2-one
CID 10933011
4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyran-6-ol
CID 134508325
5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene
CID 145288819
2-[2-(4-methoxyphenyl)ethyl]adamantane
CID 158701742

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane (CID 143210053) is 2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane is COc1ccc(CCC2CCC(C3CCC(C)CC3)CO2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane?
The InChIKey is BQVKYHLMAREPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O2/c1-16-3-8-18(9-4-16)19-10-14-21(23-15-19)13-7-17-5-11-20(22-2)12-6-17/h5-6,11-12,16,18-19,21H,3-4,7-10,13-15H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane?
2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane has a molecular weight of 316.49 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane is sourced from PubChem (CID 143210053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).