3-(3-ethylcyclohexyl)oxy-5-methylphenol

C15H22O2 — CID 107680285

IUPAC3-(3-ethylcyclohexyl)oxy-5-methylphenol
SMILESCCC1CCCC(Oc2cc(C)cc(O)c2)C1
InChIInChI=1S/C15H22O2/c1-3-12-5-4-6-14(9-12)17-15-8-11(2)7-13(16)10-15/h7-8,10,12,14,16H,3-6,9H2,1-2H3
InChIKeyLDHSBZLRNFMNOK-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.05
Rot. Bonds3

About 3-(3-ethylcyclohexyl)oxy-5-methylphenol

3-(3-ethylcyclohexyl)oxy-5-methylphenol (PubChem CID 107680285) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)oxy-5-methylphenol.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)oxy-5-methylphenol
PubChem CID107680285
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(3-ethylcyclohexyl)oxy-5-methylphenol
SMILESCCC1CCCC(Oc2cc(C)cc(O)c2)C1
InChIInChI=1S/C15H22O2/c1-3-12-5-4-6-14(9-12)17-15-8-11(2)7-13(16)10-15/h7-8,10,12,14,16H,3-6,9H2,1-2H3
InChIKeyLDHSBZLRNFMNOK-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclobutylmethoxy)-5-methylphenol
CID 107679985
3-(3-ethylcyclohexyl)oxy-5-fluoroaniline
CID 80752534
3,5-dicyclohexyloxyphenol
CID 21489857
4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246
5-(3-ethylcyclohexyl)oxy-2-methoxyaniline
CID 103201492
(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085
1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene
CID 107669082
4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine
CID 113368158
1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one
CID 115495306
1-bromo-3-cyclopentyloxy-5-methylbenzene
CID 82184335
6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine
CID 80876542
4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline
CID 114416205

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)oxy-5-methylphenol?
The IUPAC name of 3-(3-ethylcyclohexyl)oxy-5-methylphenol (CID 107680285) is 3-(3-ethylcyclohexyl)oxy-5-methylphenol.
What is the SMILES notation for 3-(3-ethylcyclohexyl)oxy-5-methylphenol?
The canonical SMILES for 3-(3-ethylcyclohexyl)oxy-5-methylphenol is CCC1CCCC(Oc2cc(C)cc(O)c2)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)oxy-5-methylphenol?
The InChIKey is LDHSBZLRNFMNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-12-5-4-6-14(9-12)17-15-8-11(2)7-13(16)10-15/h7-8,10,12,14,16H,3-6,9H2,1-2H3.
What are the key properties of 3-(3-ethylcyclohexyl)oxy-5-methylphenol?
3-(3-ethylcyclohexyl)oxy-5-methylphenol has a molecular weight of 234.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)oxy-5-methylphenol is sourced from PubChem (CID 107680285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).