1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene

C16H24O — CID 64765860

IUPAC1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
SMILESCCc1ccccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C16H24O/c1-4-14-7-5-6-8-16(14)17-15-10-9-12(2)13(3)11-15/h5-8,12-13,15H,4,9-11H2,1-3H3
InChIKeyNJRUCPGWLIQABT-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.45
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene

1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene (PubChem CID 64765860) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
PubChem CID64765860
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
SMILESCCc1ccccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C16H24O/c1-4-14-7-5-6-8-16(14)17-15-10-9-12(2)13(3)11-15/h5-8,12-13,15H,4,9-11H2,1-3H3
InChIKeyNJRUCPGWLIQABT-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
CID 80742277
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64738951
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260
1-(3-bromocyclobutyl)oxy-2-ethylbenzene
CID 66344081
3-(2-ethylphenoxy)cyclobutan-1-ol
CID 66366906
N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 64738550
2-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64745909
potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide
CID 64738388
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol
CID 64738983
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64744791
4-[3-(2-ethylphenoxy)azetidin-1-yl]piperidine
CID 56708998
4-[2-(3,4-dimethylcyclohexyl)oxyphenyl]but-3-yn-1-ol
CID 64738050

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene (CID 64765860) is 1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene is CCc1ccccc1OC1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene?
The InChIKey is NJRUCPGWLIQABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-4-14-7-5-6-8-16(14)17-15-10-9-12(2)13(3)11-15/h5-8,12-13,15H,4,9-11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene?
1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene has a molecular weight of 232.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene is sourced from PubChem (CID 64765860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).