2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol

C24H26O4 — CID 174939205

IUPAC2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol
SMILESCC(C)(Oc1cccc(O)c1C(C)(C)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H26O4/c1-23(2,16-8-12-18(25)13-9-16)22-20(27)6-5-7-21(22)28-24(3,4)17-10-14-19(26)15-11-17/h5-15,25-27H,1-4H3
InChIKeyUDFDQPPGNOIVHV-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.44
Rot. Bonds5

About 2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol

2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol (PubChem CID 174939205) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol
PubChem CID174939205
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol
SMILESCC(C)(Oc1cccc(O)c1C(C)(C)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H26O4/c1-23(2,16-8-12-18(25)13-9-16)22-20(27)6-5-7-21(22)28-24(3,4)17-10-14-19(26)15-11-17/h5-15,25-27H,1-4H3
InChIKeyUDFDQPPGNOIVHV-UHFFFAOYSA-N
XLogP5.44
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol?
The IUPAC name of 2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol (CID 174939205) is 2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol is CC(C)(Oc1cccc(O)c1C(C)(C)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol?
The InChIKey is UDFDQPPGNOIVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-23(2,16-8-12-18(25)13-9-16)22-20(27)6-5-7-21(22)28-24(3,4)17-10-14-19(26)15-11-17/h5-15,25-27H,1-4H3.
What are the key properties of 2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol?
2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol has a molecular weight of 378.47 g/mol, XLogP of 5.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol is sourced from PubChem (CID 174939205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).