1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol

C17H26O2 — CID 114794846

IUPAC1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(C)(O)C2CCCCC2)cc1
InChIInChI=1S/C17H26O2/c1-13(2)19-16-11-9-15(10-12-16)17(3,18)14-7-5-4-6-8-14/h9-14,18H,4-8H2,1-3H3
InChIKeyDJAKZJDWSSDRHI-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.26
Rot. Bonds4

About 1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol

1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol (PubChem CID 114794846) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol
PubChem CID114794846
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1ccc(C(C)(O)C2CCCCC2)cc1
InChIInChI=1S/C17H26O2/c1-13(2)19-16-11-9-15(10-12-16)17(3,18)14-7-5-4-6-8-14/h9-14,18H,4-8H2,1-3H3
InChIKeyDJAKZJDWSSDRHI-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Equol
CID 91469
4-Methoxybenzyl alcohol
CID 7738
4',7-Dihydroxy-3,4-dihydroisoflavone
CID 382975
Triton X 100
CID 5590
Vestitol, (-)-
CID 182259
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
2-(p-Nonylphenoxy)ethanol
CID 7700
(+)-Vestitol
CID 177149
1'-Hydroxyestragole
CID 40003
2-(4-Ethoxyphenyl)-2-methylpropanol
CID 158525

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol (CID 114794846) is 1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol is CC(C)Oc1ccc(C(C)(O)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol?
The InChIKey is DJAKZJDWSSDRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13(2)19-16-11-9-15(10-12-16)17(3,18)14-7-5-4-6-8-14/h9-14,18H,4-8H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol?
1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol has a molecular weight of 262.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 114794846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).