4-(2-cyclohexylethyl)-1,2-diethoxybenzene

C18H28O2 — CID 91085338

IUPAC4-(2-cyclohexylethyl)-1,2-diethoxybenzene
SMILESCCOc1ccc(CCC2CCCCC2)cc1OCC
InChIInChI=1S/C18H28O2/c1-3-19-17-13-12-16(14-18(17)20-4-2)11-10-15-8-6-5-7-9-15/h12-15H,3-11H2,1-2H3
InChIKeyHBCXQBGLBJHMLI-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.00
Rot. Bonds7

About 4-(2-cyclohexylethyl)-1,2-diethoxybenzene

4-(2-cyclohexylethyl)-1,2-diethoxybenzene (PubChem CID 91085338) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(2-cyclohexylethyl)-1,2-diethoxybenzene.

Molecular Properties

Compound Name4-(2-cyclohexylethyl)-1,2-diethoxybenzene
PubChem CID91085338
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name4-(2-cyclohexylethyl)-1,2-diethoxybenzene
SMILESCCOc1ccc(CCC2CCCCC2)cc1OCC
InChIInChI=1S/C18H28O2/c1-3-19-17-13-12-16(14-18(17)20-4-2)11-10-15-8-6-5-7-9-15/h12-15H,3-11H2,1-2H3
InChIKeyHBCXQBGLBJHMLI-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
1,2-diethoxy-4-propylbenzene
CID 3995471
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 60733205
4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine
CID 116925686
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
2-(3-cyclohexyl-4-ethoxyphenyl)ethanamine
CID 170888196
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
1,2-diethoxy-4-(3-ethoxypropyl)benzene
CID 142643440
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethyl)-1,2-diethoxybenzene?
The IUPAC name of 4-(2-cyclohexylethyl)-1,2-diethoxybenzene (CID 91085338) is 4-(2-cyclohexylethyl)-1,2-diethoxybenzene.
What is the SMILES notation for 4-(2-cyclohexylethyl)-1,2-diethoxybenzene?
The canonical SMILES for 4-(2-cyclohexylethyl)-1,2-diethoxybenzene is CCOc1ccc(CCC2CCCCC2)cc1OCC.
What is the InChIKey of 4-(2-cyclohexylethyl)-1,2-diethoxybenzene?
The InChIKey is HBCXQBGLBJHMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-3-19-17-13-12-16(14-18(17)20-4-2)11-10-15-8-6-5-7-9-15/h12-15H,3-11H2,1-2H3.
What are the key properties of 4-(2-cyclohexylethyl)-1,2-diethoxybenzene?
4-(2-cyclohexylethyl)-1,2-diethoxybenzene has a molecular weight of 276.42 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethyl)-1,2-diethoxybenzene is sourced from PubChem (CID 91085338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).