(3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol

C19H30O3 — CID 59460177

IUPAC(3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol
SMILESCCC(C)c1cccc(OC(O)OCCC2CCCCC2)c1
InChIInChI=1S/C19H30O3/c1-3-15(2)17-10-7-11-18(14-17)22-19(20)21-13-12-16-8-5-4-6-9-16/h7,10-11,14-16,19-20H,3-6,8-9,12-13H2,1-2H3
InChIKeyPHXXIERGKPSXMM-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.84
Rot. Bonds8

About (3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol

(3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol (PubChem CID 59460177) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is (3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol.

Molecular Properties

Compound Name(3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol
PubChem CID59460177
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name(3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol
SMILESCCC(C)c1cccc(OC(O)OCCC2CCCCC2)c1
InChIInChI=1S/C19H30O3/c1-3-15(2)17-10-7-11-18(14-17)22-19(20)21-13-12-16-8-5-4-6-9-16/h7,10-11,14-16,19-20H,3-6,8-9,12-13H2,1-2H3
InChIKeyPHXXIERGKPSXMM-UHFFFAOYSA-N
XLogP4.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-butan-2-yl-3-[1-(2-methylpropoxy)ethoxy]benzene
CID 58711385
2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate
CID 59409223
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane
CID 159180214
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
2-(2-cyclohexylethoxy)propoxybenzene
CID 71174964
2-cyclohexylpropan-2-yl 3-butan-2-ylbenzoate
CID 59409220
1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476
2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 106205144
2-cyclopentyl-1-(3-propoxyphenyl)ethanol
CID 65146182
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;1-butan-2-yl-4-phenylmethoxybenzene
CID 157125767

Frequently Asked Questions

What is the IUPAC name of (3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol?
The IUPAC name of (3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol (CID 59460177) is (3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol.
What is the SMILES notation for (3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol?
The canonical SMILES for (3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol is CCC(C)c1cccc(OC(O)OCCC2CCCCC2)c1.
What is the InChIKey of (3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol?
The InChIKey is PHXXIERGKPSXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-3-15(2)17-10-7-11-18(14-17)22-19(20)21-13-12-16-8-5-4-6-9-16/h7,10-11,14-16,19-20H,3-6,8-9,12-13H2,1-2H3.
What are the key properties of (3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol?
(3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol has a molecular weight of 306.45 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol is sourced from PubChem (CID 59460177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).