2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol

C16H26O4 — CID 59095315

IUPAC2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
SMILESCOc1cc(C(C)(C)O)c(C(C)(C)O)cc1C(C)(C)O
InChIInChI=1S/C16H26O4/c1-14(2,17)10-8-12(16(5,6)19)13(20-7)9-11(10)15(3,4)18/h8-9,17-19H,1-7H3
InChIKeyRIWPUTPJJLPJIG-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.38
Rot. Bonds4

About 2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol

2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol (PubChem CID 59095315) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
PubChem CID59095315
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
SMILESCOc1cc(C(C)(C)O)c(C(C)(C)O)cc1C(C)(C)O
InChIInChI=1S/C16H26O4/c1-14(2,17)10-8-12(16(5,6)19)13(20-7)9-11(10)15(3,4)18/h8-9,17-19H,1-7H3
InChIKeyRIWPUTPJJLPJIG-UHFFFAOYSA-N
XLogP2.38
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol?
The IUPAC name of 2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol (CID 59095315) is 2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol.
What is the SMILES notation for 2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol?
The canonical SMILES for 2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol is COc1cc(C(C)(C)O)c(C(C)(C)O)cc1C(C)(C)O.
What is the InChIKey of 2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol?
The InChIKey is RIWPUTPJJLPJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-14(2,17)10-8-12(16(5,6)19)13(20-7)9-11(10)15(3,4)18/h8-9,17-19H,1-7H3.
What are the key properties of 2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol?
2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol has a molecular weight of 282.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol is sourced from PubChem (CID 59095315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).