2-(4-chlorophenoxy)ethanol

C8H9ClO2 — CID 15907

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IUPAC2-(4-chlorophenoxy)ethanol
SMILESOCCOc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
InChIKeyGEGSSUSEWOHAFE-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.71
Rot. Bonds3

About 2-(4-chlorophenoxy)ethanol

2-(4-chlorophenoxy)ethanol (PubChem CID 15907) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethanol
PubChem CID15907
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name2-(4-chlorophenoxy)ethanol
SMILESOCCOc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
InChIKeyGEGSSUSEWOHAFE-UHFFFAOYSA-N
XLogP1.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenoxyethanol
CID 31236
Clofibrate
CID 2796
Clofibric Acid
CID 2797
(4-Chlorophenoxy)acetic acid
CID 26229
1-Phenoxy-2-propanol
CID 92839
Chlorphenesin Carbamate
CID 2724
Chlorphenesin
CID 7697
3-Chlorophenoxyacetic acid
CID 11497
2-Phenoxy-1-propanol
CID 20129
2-(2-Phenoxyethoxy)ethanol
CID 7715
4-Chlorophenyl phenyl ether
CID 23436
2,2'-(p-Phenylenedioxy)diethanol
CID 66912

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethanol?
The IUPAC name of 2-(4-chlorophenoxy)ethanol (CID 15907) is 2-(4-chlorophenoxy)ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)ethanol is OCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethanol?
The InChIKey is GEGSSUSEWOHAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2.
What are the key properties of 2-(4-chlorophenoxy)ethanol?
2-(4-chlorophenoxy)ethanol has a molecular weight of 172.61 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethanol is sourced from PubChem (CID 15907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).