3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol

C22H30O3 — CID 11462008

IUPAC3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)Cc1cccc(Oc2cccc(CC(C)(C)CO)c2)c1
InChIInChI=1S/C22H30O3/c1-21(2,15-23)13-17-7-5-9-19(11-17)25-20-10-6-8-18(12-20)14-22(3,4)16-24/h5-12,23-24H,13-16H2,1-4H3
InChIKeyGYUZZNNWIOGAQI-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.60
Rot. Bonds8

About 3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol

3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol (PubChem CID 11462008) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol
PubChem CID11462008
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)Cc1cccc(Oc2cccc(CC(C)(C)CO)c2)c1
InChIInChI=1S/C22H30O3/c1-21(2,15-23)13-17-7-5-9-19(11-17)25-20-10-6-8-18(12-20)14-22(3,4)16-24/h5-12,23-24H,13-16H2,1-4H3
InChIKeyGYUZZNNWIOGAQI-UHFFFAOYSA-N
XLogP4.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol (CID 11462008) is 3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol is CC(C)(CO)Cc1cccc(Oc2cccc(CC(C)(C)CO)c2)c1.
What is the InChIKey of 3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol?
The InChIKey is GYUZZNNWIOGAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3/c1-21(2,15-23)13-17-7-5-9-19(11-17)25-20-10-6-8-18(12-20)14-22(3,4)16-24/h5-12,23-24H,13-16H2,1-4H3.
What are the key properties of 3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol?
3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol has a molecular weight of 342.48 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(3-hydroxy-2,2-dimethylpropyl)phenoxy]phenyl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 11462008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).