1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene

C16H24O2 — CID 64764405

IUPAC1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene
SMILESCOC1CCCC(Oc2ccccc2C(C)C)C1
InChIInChI=1S/C16H24O2/c1-12(2)15-9-4-5-10-16(15)18-14-8-6-7-13(11-14)17-3/h4-5,9-10,12-14H,6-8,11H2,1-3H3
InChIKeyZVCWTCVVRLJUTF-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.15
Rot. Bonds4

About 1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene

1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene (PubChem CID 64764405) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene
PubChem CID64764405
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene
SMILESCOC1CCCC(Oc2ccccc2C(C)C)C1
InChIInChI=1S/C16H24O2/c1-12(2)15-9-4-5-10-16(15)18-14-8-6-7-13(11-14)17-3/h4-5,9-10,12-14H,6-8,11H2,1-3H3
InChIKeyZVCWTCVVRLJUTF-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958662
3-(2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79619454
N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 79618563
1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
CID 64763669
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
3-(2-propan-2-ylphenoxy)cyclohexan-1-one
CID 79618145
(1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958654
1-(2-cyclohexyloxyphenyl)-N-methylethanamine
CID 43279544
(1E)-3-(2-propan-2-ylphenoxy)cyclooctene
CID 114228087
(1S)-1-[4-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 102946940
3-(2-propan-2-ylphenoxy)-N-propylcyclopentan-1-amine
CID 79642895
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene?
The IUPAC name of 1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene (CID 64764405) is 1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene?
The canonical SMILES for 1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene is COC1CCCC(Oc2ccccc2C(C)C)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene?
The InChIKey is ZVCWTCVVRLJUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(2)15-9-4-5-10-16(15)18-14-8-6-7-13(11-14)17-3/h4-5,9-10,12-14H,6-8,11H2,1-3H3.
What are the key properties of 1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene?
1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene has a molecular weight of 248.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene is sourced from PubChem (CID 64764405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).