2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol

C15H24O3 — CID 59095231

IUPAC2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol
SMILESCC(C)Oc1cc(C(C)(C)O)cc(C(C)(C)O)c1
InChIInChI=1S/C15H24O3/c1-10(2)18-13-8-11(14(3,4)16)7-12(9-13)15(5,6)17/h7-10,16-17H,1-6H3
InChIKeyXGLNHIXJGKBQAO-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.93
Rot. Bonds4

About 2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol

2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol (PubChem CID 59095231) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol
PubChem CID59095231
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol
SMILESCC(C)Oc1cc(C(C)(C)O)cc(C(C)(C)O)c1
InChIInChI=1S/C15H24O3/c1-10(2)18-13-8-11(14(3,4)16)7-12(9-13)15(5,6)17/h7-10,16-17H,1-6H3
InChIKeyXGLNHIXJGKBQAO-UHFFFAOYSA-N
XLogP2.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3,5-bis(2-hydroxypropan-2-yl)phenoxy]-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 66722128
(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
CID 97048457
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392
3-iodo-5-propan-2-yloxyphenol
CID 67325346
1-cyclohexyl-1-(3-propan-2-yloxyphenyl)ethanol
CID 114794965
methyl (2S)-2-(3,5-ditert-butylphenoxy)propanoate
CID 103337876
2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58720461
1,3-dibromo-5-propan-2-yloxybenzene
CID 50998234
1-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62796946
3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol
CID 106183454
4-[1-hydroxy-1-(3-propan-2-yloxyphenyl)ethyl]benzonitrile
CID 115481663
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol?
The IUPAC name of 2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol (CID 59095231) is 2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol.
What is the SMILES notation for 2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol?
The canonical SMILES for 2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol is CC(C)Oc1cc(C(C)(C)O)cc(C(C)(C)O)c1.
What is the InChIKey of 2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol?
The InChIKey is XGLNHIXJGKBQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-10(2)18-13-8-11(14(3,4)16)7-12(9-13)15(5,6)17/h7-10,16-17H,1-6H3.
What are the key properties of 2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol?
2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol has a molecular weight of 252.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol is sourced from PubChem (CID 59095231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).