2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol

C18H28O2 — CID 114341933

IUPAC2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(C(O)COC2CCC(C)(C)CC2)c1
InChIInChI=1S/C18H28O2/c1-13-5-6-14(2)16(11-13)17(19)12-20-15-7-9-18(3,4)10-8-15/h5-6,11,15,17,19H,7-10,12H2,1-4H3
InChIKeyRPRIGTGEKVCSTE-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.32
Rot. Bonds4

About 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol

2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol (PubChem CID 114341933) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol
PubChem CID114341933
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(C(O)COC2CCC(C)(C)CC2)c1
InChIInChI=1S/C18H28O2/c1-13-5-6-14(2)16(11-13)17(19)12-20-15-7-9-18(3,4)10-8-15/h5-6,11,15,17,19H,7-10,12H2,1-4H3
InChIKeyRPRIGTGEKVCSTE-UHFFFAOYSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol (CID 114341933) is 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol is Cc1ccc(C)c(C(O)COC2CCC(C)(C)CC2)c1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol?
The InChIKey is RPRIGTGEKVCSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-13-5-6-14(2)16(11-13)17(19)12-20-15-7-9-18(3,4)10-8-15/h5-6,11,15,17,19H,7-10,12H2,1-4H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol?
2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol has a molecular weight of 276.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 114341933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).