2-(3,3-diphenoxypropyl)phenol

C21H20O3 — CID 66865819

IUPAC2-(3,3-diphenoxypropyl)phenol
SMILESOc1ccccc1CCC(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C21H20O3/c22-20-14-8-7-9-17(20)15-16-21(23-18-10-3-1-4-11-18)24-19-12-5-2-6-13-19/h1-14,21-22H,15-16H2
InChIKeyJOGBQRBFODYNGO-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.81
Rot. Bonds7

About 2-(3,3-diphenoxypropyl)phenol

2-(3,3-diphenoxypropyl)phenol (PubChem CID 66865819) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(3,3-diphenoxypropyl)phenol.

Molecular Properties

Compound Name2-(3,3-diphenoxypropyl)phenol
PubChem CID66865819
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name2-(3,3-diphenoxypropyl)phenol
SMILESOc1ccccc1CCC(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C21H20O3/c22-20-14-8-7-9-17(20)15-16-21(23-18-10-3-1-4-11-18)24-19-12-5-2-6-13-19/h1-14,21-22H,15-16H2
InChIKeyJOGBQRBFODYNGO-UHFFFAOYSA-N
XLogP4.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(9,9-diphenoxynonyl)phenol
CID 66866947
CID 175749710
CID 175749710
2-(7-phenoxyheptyl)phenol
CID 141346388
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
CID 66867217
bis(4,4-diphenoxybutyl) carbonate
CID 175004046
3-methoxy-3-phenoxypropan-1-ol
CID 119087893
2-hydroxy-4-(2-hydroxyphenyl)butanal
CID 105438618
2-hydroxy-4-(2-hydroxyphenyl)butanenitrile
CID 19702741
2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol
CID 71616730
2-(2-phenylethyl)phenol;hydrate
CID 157150935
2-(8,8-diphenyloctyl)phenol
CID 66867292

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenoxypropyl)phenol?
The IUPAC name of 2-(3,3-diphenoxypropyl)phenol (CID 66865819) is 2-(3,3-diphenoxypropyl)phenol.
What is the SMILES notation for 2-(3,3-diphenoxypropyl)phenol?
The canonical SMILES for 2-(3,3-diphenoxypropyl)phenol is Oc1ccccc1CCC(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-(3,3-diphenoxypropyl)phenol?
The InChIKey is JOGBQRBFODYNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c22-20-14-8-7-9-17(20)15-16-21(23-18-10-3-1-4-11-18)24-19-12-5-2-6-13-19/h1-14,21-22H,15-16H2.
What are the key properties of 2-(3,3-diphenoxypropyl)phenol?
2-(3,3-diphenoxypropyl)phenol has a molecular weight of 320.39 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenoxypropyl)phenol is sourced from PubChem (CID 66865819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).