2-(4-chloro-2,6-dimethylphenoxy)ethanol

C10H13ClO2 — CID 43510030

IUPAC2-(4-chloro-2,6-dimethylphenoxy)ethanol
SMILESCc1cc(Cl)cc(C)c1OCCO
InChIInChI=1S/C10H13ClO2/c1-7-5-9(11)6-8(2)10(7)13-4-3-12/h5-6,12H,3-4H2,1-2H3
InChIKeyRKHFFDPODZSRRZ-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.33
Rot. Bonds3

About 2-(4-chloro-2,6-dimethylphenoxy)ethanol

2-(4-chloro-2,6-dimethylphenoxy)ethanol (PubChem CID 43510030) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)ethanol
PubChem CID43510030
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)ethanol
SMILESCc1cc(Cl)cc(C)c1OCCO
InChIInChI=1S/C10H13ClO2/c1-7-5-9(11)6-8(2)10(7)13-4-3-12/h5-6,12H,3-4H2,1-2H3
InChIKeyRKHFFDPODZSRRZ-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)ethanol?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)ethanol (CID 43510030) is 2-(4-chloro-2,6-dimethylphenoxy)ethanol.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)ethanol?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)ethanol is Cc1cc(Cl)cc(C)c1OCCO.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)ethanol?
The InChIKey is RKHFFDPODZSRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-7-5-9(11)6-8(2)10(7)13-4-3-12/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)ethanol?
2-(4-chloro-2,6-dimethylphenoxy)ethanol has a molecular weight of 200.66 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)ethanol is sourced from PubChem (CID 43510030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).