2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol

C21H20O3 — CID 71616730

IUPAC2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol
SMILESOc1ccccc1CCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H20O3/c22-21-9-5-4-8-18(21)14-15-23-19-10-12-20(13-11-19)24-16-17-6-2-1-3-7-17/h1-13,22H,14-16H2
InChIKeyLNORXRSXRPPOLF-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.59
Rot. Bonds7

About 2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol

2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol (PubChem CID 71616730) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol
PubChem CID71616730
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol
SMILESOc1ccccc1CCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H20O3/c22-21-9-5-4-8-18(21)14-15-23-19-10-12-20(13-11-19)24-16-17-6-2-1-3-7-17/h1-13,22H,14-16H2
InChIKeyLNORXRSXRPPOLF-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
2-(7-phenoxyheptyl)phenol
CID 141346388
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
2-[2-(4-nitrophenoxy)ethyl]phenol
CID 71616729
1-phenylmethoxy-4-propoxybenzene
CID 10728874
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine
CID 113314859
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
2-[3-[[2-hydroxy-1-(4-phenylmethoxyphenyl)ethyl]amino]-3-methylbutyl]phenol
CID 70565766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol?
The IUPAC name of 2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol (CID 71616730) is 2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol.
What is the SMILES notation for 2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol?
The canonical SMILES for 2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol is Oc1ccccc1CCOc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol?
The InChIKey is LNORXRSXRPPOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c22-21-9-5-4-8-18(21)14-15-23-19-10-12-20(13-11-19)24-16-17-6-2-1-3-7-17/h1-13,22H,14-16H2.
What are the key properties of 2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol?
2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol has a molecular weight of 320.39 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol is sourced from PubChem (CID 71616730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).