2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol

C16H17ClO3 — CID 105119515

IUPAC2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClO3/c1-2-19-14-7-3-5-12(9-14)16(18)11-20-15-8-4-6-13(17)10-15/h3-10,16,18H,2,11H2,1H3
InChIKeyKPAPPRMNVDMWJN-UHFFFAOYSA-N
MW292.76 g/mol
LogP3.85
Rot. Bonds6

About 2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol

2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol (PubChem CID 105119515) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
PubChem CID105119515
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClO3/c1-2-19-14-7-3-5-12(9-14)16(18)11-20-15-8-4-6-13(17)10-15/h3-10,16,18H,2,11H2,1H3
InChIKeyKPAPPRMNVDMWJN-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-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol
CID 62336547
chloro-(3-ethoxyphenyl)methanol
CID 141156919
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol
CID 109416427
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol (CID 105119515) is 2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol is CCOc1cccc(C(O)COc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol?
The InChIKey is KPAPPRMNVDMWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-2-19-14-7-3-5-12(9-14)16(18)11-20-15-8-4-6-13(17)10-15/h3-10,16,18H,2,11H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol?
2-(3-chlorophenoxy)-1-(3-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-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol is sourced from PubChem (CID 105119515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).