2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene

C23H30O4 — CID 70442578

IUPAC2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(c2cc(OC)ccc2OC)C2CCCCC2)c1
InChIInChI=1S/C23H30O4/c1-24-17-10-12-21(26-3)19(14-17)23(16-8-6-5-7-9-16)20-15-18(25-2)11-13-22(20)27-4/h10-16,23H,5-9H2,1-4H3
InChIKeyOCBIUFYLHWISGY-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.43
Rot. Bonds7

About 2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene

2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene (PubChem CID 70442578) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene
PubChem CID70442578
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(c2cc(OC)ccc2OC)C2CCCCC2)c1
InChIInChI=1S/C23H30O4/c1-24-17-10-12-21(26-3)19(14-17)23(16-8-6-5-7-9-16)20-15-18(25-2)11-13-22(20)27-4/h10-16,23H,5-9H2,1-4H3
InChIKeyOCBIUFYLHWISGY-UHFFFAOYSA-N
XLogP5.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene
CID 83149195
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene
CID 63429282
(1R,2S)-2-amino-1-cyclobutyl-2-(2,5-dimethoxyphenyl)ethanol
CID 171162371
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene (CID 70442578) is 2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene is COc1ccc(OC)c(C(c2cc(OC)ccc2OC)C2CCCCC2)c1.
What is the InChIKey of 2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene?
The InChIKey is OCBIUFYLHWISGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-24-17-10-12-21(26-3)19(14-17)23(16-8-6-5-7-9-16)20-15-18(25-2)11-13-22(20)27-4/h10-16,23H,5-9H2,1-4H3.
What are the key properties of 2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene?
2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene has a molecular weight of 370.49 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene is sourced from PubChem (CID 70442578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).