2-(1,1-diphenoxyethyl)phenol

C20H18O3 — CID 66866287

IUPAC2-(1,1-diphenoxyethyl)phenol
SMILESCC(Oc1ccccc1)(Oc1ccccc1)c1ccccc1O
InChIInChI=1S/C20H18O3/c1-20(18-14-8-9-15-19(18)21,22-16-10-4-2-5-11-16)23-17-12-6-3-7-13-17/h2-15,21H,1H3
InChIKeyCIQNRANZUPDOFW-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.72
Rot. Bonds5

About 2-(1,1-diphenoxyethyl)phenol

2-(1,1-diphenoxyethyl)phenol (PubChem CID 66866287) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(1,1-diphenoxyethyl)phenol.

Molecular Properties

Compound Name2-(1,1-diphenoxyethyl)phenol
PubChem CID66866287
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name2-(1,1-diphenoxyethyl)phenol
SMILESCC(Oc1ccccc1)(Oc1ccccc1)c1ccccc1O
InChIInChI=1S/C20H18O3/c1-20(18-14-8-9-15-19(18)21,22-16-10-4-2-5-11-16)23-17-12-6-3-7-13-17/h2-15,21H,1H3
InChIKeyCIQNRANZUPDOFW-UHFFFAOYSA-N
XLogP4.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.72
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-(1,1-diphenoxybutyl)phenol
CID 66866351
2-(1,1-diphenoxynonyl)phenol
CID 66866946
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
CID 172777673
CID 172777673
1-chloro-1-phenoxyethanol
CID 66681023
2-tert-butylphenol;toluene
CID 175493501
2-[2-(2-aminophenoxy)propan-2-yl]phenol
CID 139654636
potassium;2-tert-butylphenol;hydride
CID 174648142
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
2-iodopropan-2-yloxybenzene
CID 147876431
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diphenoxyethyl)phenol?
The IUPAC name of 2-(1,1-diphenoxyethyl)phenol (CID 66866287) is 2-(1,1-diphenoxyethyl)phenol.
What is the SMILES notation for 2-(1,1-diphenoxyethyl)phenol?
The canonical SMILES for 2-(1,1-diphenoxyethyl)phenol is CC(Oc1ccccc1)(Oc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-(1,1-diphenoxyethyl)phenol?
The InChIKey is CIQNRANZUPDOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-20(18-14-8-9-15-19(18)21,22-16-10-4-2-5-11-16)23-17-12-6-3-7-13-17/h2-15,21H,1H3.
What are the key properties of 2-(1,1-diphenoxyethyl)phenol?
2-(1,1-diphenoxyethyl)phenol has a molecular weight of 306.36 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diphenoxyethyl)phenol is sourced from PubChem (CID 66866287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).