2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol

C22H36O2 — CID 123491092

IUPAC2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol
SMILESCC(c1cccc(C(O)OC(C)(C)C2CCCCC2)c1)C(C)(C)C
InChIInChI=1S/C22H36O2/c1-16(21(2,3)4)17-11-10-12-18(15-17)20(23)24-22(5,6)19-13-8-7-9-14-19/h10-12,15-16,19-20,23H,7-9,13-14H2,1-6H3
InChIKeyTVAFXSYBBJTQOM-UHFFFAOYSA-N
MW332.53 g/mol
LogP6.20
Rot. Bonds5

About 2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol

2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol (PubChem CID 123491092) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol
PubChem CID123491092
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol
SMILESCC(c1cccc(C(O)OC(C)(C)C2CCCCC2)c1)C(C)(C)C
InChIInChI=1S/C22H36O2/c1-16(21(2,3)4)17-11-10-12-18(15-17)20(23)24-22(5,6)19-13-8-7-9-14-19/h10-12,15-16,19-20,23H,7-9,13-14H2,1-6H3
InChIKeyTVAFXSYBBJTQOM-UHFFFAOYSA-N
XLogP6.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexylpropan-2-yl 3-butan-2-ylbenzoate
CID 59409220
1-cyclohexyl-1-(3-propan-2-yloxyphenyl)ethanol
CID 114794965
1-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorobenzene
CID 168850046
2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate
CID 59409223
(S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol
CID 89484312
2-cyclohexylpropan-2-yl 3-methoxybenzoate
CID 139665824
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol
CID 174484304
1-(3-chlorophenyl)-1-cyclohexylethanol
CID 43810110
[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115018814
3-[3-(cyclohexylmethylamino)phenyl]-3-hydroxy-2-methylpropanenitrile
CID 67296430
3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol
CID 59316933

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol?
The IUPAC name of 2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol (CID 123491092) is 2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol.
What is the SMILES notation for 2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol?
The canonical SMILES for 2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol is CC(c1cccc(C(O)OC(C)(C)C2CCCCC2)c1)C(C)(C)C.
What is the InChIKey of 2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol?
The InChIKey is TVAFXSYBBJTQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2/c1-16(21(2,3)4)17-11-10-12-18(15-17)20(23)24-22(5,6)19-13-8-7-9-14-19/h10-12,15-16,19-20,23H,7-9,13-14H2,1-6H3.
What are the key properties of 2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol?
2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol has a molecular weight of 332.53 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol is sourced from PubChem (CID 123491092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).