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

C15H15ClO3 — CID 117244582

IUPAC2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)COc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClO3/c1-18-12-8-6-11(7-9-12)14(17)10-19-15-5-3-2-4-13(15)16/h2-9,14,17H,10H2,1H3
InChIKeyPTLWYJXTGDIILE-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.46
Rot. Bonds5

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

2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol (PubChem CID 117244582) has the molecular formula C15H15ClO3 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol
PubChem CID117244582
Molecular FormulaC15H15ClO3
Molecular Weight278.74 g/mol
Exact Mass278.07
IUPAC Name2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)COc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClO3/c1-18-12-8-6-11(7-9-12)14(17)10-19-15-5-3-2-4-13(15)16/h2-9,14,17H,10H2,1H3
InChIKeyPTLWYJXTGDIILE-UHFFFAOYSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-1-pyridin-4-ylethanol
CID 117246462
1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
CID 62264762
4-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]phenol
CID 117244685
1-(2-chlorophenoxy)-5-methylhexane-2,3-diol
CID 118334255
1-(2-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 22640862
(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
CID 733471
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
2-(3,5-difluorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 62783768
1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
CID 3076599
2-[2-amino-2-(4-methoxyphenyl)ethoxy]phenol
CID 117244585
2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol
CID 112813692
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol (CID 117244582) is 2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)COc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol?
The InChIKey is PTLWYJXTGDIILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3/c1-18-12-8-6-11(7-9-12)14(17)10-19-15-5-3-2-4-13(15)16/h2-9,14,17H,10H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol?
2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol has a molecular weight of 278.74 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 117244582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).