2-(4-chloro-2-ethylphenoxy)ethanol

C10H13ClO2 — CID 3041042

IUPAC2-(4-chloro-2-ethylphenoxy)ethanol
SMILESCCc1cc(Cl)ccc1OCCO
InChIInChI=1S/C10H13ClO2/c1-2-8-7-9(11)3-4-10(8)13-6-5-12/h3-4,7,12H,2,5-6H2,1H3
InChIKeyUKFLXEYTPUSQPW-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.27
Rot. Bonds4

About 2-(4-chloro-2-ethylphenoxy)ethanol

2-(4-chloro-2-ethylphenoxy)ethanol (PubChem CID 3041042) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 2-(4-chloro-2-ethylphenoxy)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-ethylphenoxy)ethanol
PubChem CID3041042
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name2-(4-chloro-2-ethylphenoxy)ethanol
SMILESCCc1cc(Cl)ccc1OCCO
InChIInChI=1S/C10H13ClO2/c1-2-8-7-9(11)3-4-10(8)13-6-5-12/h3-4,7,12H,2,5-6H2,1H3
InChIKeyUKFLXEYTPUSQPW-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-ethylphenoxy)ethanol?
The IUPAC name of 2-(4-chloro-2-ethylphenoxy)ethanol (CID 3041042) is 2-(4-chloro-2-ethylphenoxy)ethanol.
What is the SMILES notation for 2-(4-chloro-2-ethylphenoxy)ethanol?
The canonical SMILES for 2-(4-chloro-2-ethylphenoxy)ethanol is CCc1cc(Cl)ccc1OCCO.
What is the InChIKey of 2-(4-chloro-2-ethylphenoxy)ethanol?
The InChIKey is UKFLXEYTPUSQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-2-8-7-9(11)3-4-10(8)13-6-5-12/h3-4,7,12H,2,5-6H2,1H3.
What are the key properties of 2-(4-chloro-2-ethylphenoxy)ethanol?
2-(4-chloro-2-ethylphenoxy)ethanol has a molecular weight of 200.66 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-ethylphenoxy)ethanol is sourced from PubChem (CID 3041042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).