2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol

C24H34O5 — CID 66722022

IUPAC2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Oc2c(C(C)(C)O)cc(C(C)(C)O)cc2C(C)(C)O)cc1
InChIInChI=1S/C24H34O5/c1-21(2,25)15-9-11-17(12-10-15)29-20-18(23(5,6)27)13-16(22(3,4)26)14-19(20)24(7,8)28/h9-14,25-28H,1-8H3
InChIKeyDQSNPHITUOAKRZ-UHFFFAOYSA-N
MW402.53 g/mol
LogP4.39
Rot. Bonds6

About 2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol

2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol (PubChem CID 66722022) has the molecular formula C24H34O5 and a molecular weight of 402.53 g/mol. Its IUPAC name is 2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol
PubChem CID66722022
Molecular FormulaC24H34O5
Molecular Weight402.53 g/mol
Exact Mass402.24
IUPAC Name2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Oc2c(C(C)(C)O)cc(C(C)(C)O)cc2C(C)(C)O)cc1
InChIInChI=1S/C24H34O5/c1-21(2,25)15-9-11-17(12-10-15)29-20-18(23(5,6)27)13-16(22(3,4)26)14-19(20)24(7,8)28/h9-14,25-28H,1-8H3
InChIKeyDQSNPHITUOAKRZ-UHFFFAOYSA-N
XLogP4.39
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol (CID 66722022) is 2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol is CC(C)(O)c1ccc(Oc2c(C(C)(C)O)cc(C(C)(C)O)cc2C(C)(C)O)cc1.
What is the InChIKey of 2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol?
The InChIKey is DQSNPHITUOAKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O5/c1-21(2,25)15-9-11-17(12-10-15)29-20-18(23(5,6)27)13-16(22(3,4)26)14-19(20)24(7,8)28/h9-14,25-28H,1-8H3.
What are the key properties of 2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol?
2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol has a molecular weight of 402.53 g/mol, XLogP of 4.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol is sourced from PubChem (CID 66722022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).