2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol

C22H22O3 — CID 67427052

IUPAC2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol
SMILESCOc1ccc(C(OCCO)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22O3/c1-24-21-14-12-20(13-15-21)22(25-17-16-23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3
InChIKeyJOXFVFZKGOUGOT-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.00
Rot. Bonds7

About 2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol

2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol (PubChem CID 67427052) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol
PubChem CID67427052
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol
SMILESCOc1ccc(C(OCCO)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22O3/c1-24-21-14-12-20(13-15-21)22(25-17-16-23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3
InChIKeyJOXFVFZKGOUGOT-UHFFFAOYSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Etofenprox
CID 71245
Ospemifene
CID 3036505
Triton X 100
CID 5590
4-Nonylphenol diethoxylate
CID 24773
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
2-(p-Nonylphenoxy)ethanol
CID 7700
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
Bisphenol A bis(2-hydroxyethyl)ether
CID 61909
20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol
CID 75622
4-Methoxy-alpha,alpha-diphenylbenzenemethanol
CID 70061
1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol?
The IUPAC name of 2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol (CID 67427052) is 2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol.
What is the SMILES notation for 2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol?
The canonical SMILES for 2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol is COc1ccc(C(OCCO)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol?
The InChIKey is JOXFVFZKGOUGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-24-21-14-12-20(13-15-21)22(25-17-16-23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol?
2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol has a molecular weight of 334.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol is sourced from PubChem (CID 67427052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).