2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol

C16H17ClO3 — CID 105095796

IUPAC2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol
SMILESCCOc1ccccc1C(O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClO3/c1-2-19-16-6-4-3-5-14(16)15(18)11-20-13-9-7-12(17)8-10-13/h3-10,15,18H,2,11H2,1H3
InChIKeyUHIXCJWEQPACOF-UHFFFAOYSA-N
MW292.76 g/mol
LogP3.85
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol

2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol (PubChem CID 105095796) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol
PubChem CID105095796
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol
SMILESCCOc1ccccc1C(O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClO3/c1-2-19-16-6-4-3-5-14(16)15(18)11-20-13-9-7-12(17)8-10-13/h3-10,15,18H,2,11H2,1H3
InChIKeyUHIXCJWEQPACOF-UHFFFAOYSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol
CID 62790142
1-(2-methoxyphenyl)-2-(4-propylphenoxy)ethanol
CID 62549968
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
1-(2-ethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115533471
2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol
CID 71616839
(3,5-dichlorophenyl)-(2-ethoxyphenyl)methanol
CID 63899517
2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
CID 23460388

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol (CID 105095796) is 2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol is CCOc1ccccc1C(O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol?
The InChIKey is UHIXCJWEQPACOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-2-19-16-6-4-3-5-14(16)15(18)11-20-13-9-7-12(17)8-10-13/h3-10,15,18H,2,11H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol?
2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol has a molecular weight of 292.76 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol is sourced from PubChem (CID 105095796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).