1-(2-cyclohexylethyl)-2,3-dimethoxybenzene

C16H24O2 — CID 140989777

IUPAC1-(2-cyclohexylethyl)-2,3-dimethoxybenzene
SMILESCOc1cccc(CCC2CCCCC2)c1OC
InChIInChI=1S/C16H24O2/c1-17-15-10-6-9-14(16(15)18-2)12-11-13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3
InChIKeyRJWNRHYXDMNMFA-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.22
Rot. Bonds5

About 1-(2-cyclohexylethyl)-2,3-dimethoxybenzene

1-(2-cyclohexylethyl)-2,3-dimethoxybenzene (PubChem CID 140989777) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-2,3-dimethoxybenzene
PubChem CID140989777
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(2-cyclohexylethyl)-2,3-dimethoxybenzene
SMILESCOc1cccc(CCC2CCCCC2)c1OC
InChIInChI=1S/C16H24O2/c1-17-15-10-6-9-14(16(15)18-2)12-11-13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3
InChIKeyRJWNRHYXDMNMFA-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,3-dimethoxyphenyl)ethyl]piperidine
CID 43146765
1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene
CID 114191426
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715
2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 46590599
2-[(2,3-dimethoxyphenyl)methoxy]oxane
CID 11265241
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
1-[6-[4-(tert-butylsulfonylmethyl)cyclohexyl]hexyl]-2,3-dimethoxybenzene
CID 157426322
3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol
CID 115838559
1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 62407334
1-(2-azidoethyl)-2,3-dimethoxybenzene
CID 150478771

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-2,3-dimethoxybenzene?
The IUPAC name of 1-(2-cyclohexylethyl)-2,3-dimethoxybenzene (CID 140989777) is 1-(2-cyclohexylethyl)-2,3-dimethoxybenzene.
What is the SMILES notation for 1-(2-cyclohexylethyl)-2,3-dimethoxybenzene?
The canonical SMILES for 1-(2-cyclohexylethyl)-2,3-dimethoxybenzene is COc1cccc(CCC2CCCCC2)c1OC.
What is the InChIKey of 1-(2-cyclohexylethyl)-2,3-dimethoxybenzene?
The InChIKey is RJWNRHYXDMNMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-17-15-10-6-9-14(16(15)18-2)12-11-13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3.
What are the key properties of 1-(2-cyclohexylethyl)-2,3-dimethoxybenzene?
1-(2-cyclohexylethyl)-2,3-dimethoxybenzene has a molecular weight of 248.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-2,3-dimethoxybenzene is sourced from PubChem (CID 140989777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).