4-chloro-2,6-bis(1-ethoxyethyl)phenol

C14H21ClO3 — CID 22323621

IUPAC4-chloro-2,6-bis(1-ethoxyethyl)phenol
SMILESCCOC(C)c1cc(Cl)cc(C(C)OCC)c1O
InChIInChI=1S/C14H21ClO3/c1-5-17-9(3)12-7-11(15)8-13(14(12)16)10(4)18-6-2/h7-10,16H,5-6H2,1-4H3
InChIKeySDFWYBRTYWRNKB-UHFFFAOYSA-N
MW272.77 g/mol
LogP4.24
Rot. Bonds6

About 4-chloro-2,6-bis(1-ethoxyethyl)phenol

4-chloro-2,6-bis(1-ethoxyethyl)phenol (PubChem CID 22323621) has the molecular formula C14H21ClO3 and a molecular weight of 272.77 g/mol. Its IUPAC name is 4-chloro-2,6-bis(1-ethoxyethyl)phenol.

Molecular Properties

Compound Name4-chloro-2,6-bis(1-ethoxyethyl)phenol
PubChem CID22323621
Molecular FormulaC14H21ClO3
Molecular Weight272.77 g/mol
Exact Mass272.12
IUPAC Name4-chloro-2,6-bis(1-ethoxyethyl)phenol
SMILESCCOC(C)c1cc(Cl)cc(C(C)OCC)c1O
InChIInChI=1S/C14H21ClO3/c1-5-17-9(3)12-7-11(15)8-13(14(12)16)10(4)18-6-2/h7-10,16H,5-6H2,1-4H3
InChIKeySDFWYBRTYWRNKB-UHFFFAOYSA-N
XLogP4.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-bis(1-ethoxyethyl)phenol?
The IUPAC name of 4-chloro-2,6-bis(1-ethoxyethyl)phenol (CID 22323621) is 4-chloro-2,6-bis(1-ethoxyethyl)phenol.
What is the SMILES notation for 4-chloro-2,6-bis(1-ethoxyethyl)phenol?
The canonical SMILES for 4-chloro-2,6-bis(1-ethoxyethyl)phenol is CCOC(C)c1cc(Cl)cc(C(C)OCC)c1O.
What is the InChIKey of 4-chloro-2,6-bis(1-ethoxyethyl)phenol?
The InChIKey is SDFWYBRTYWRNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO3/c1-5-17-9(3)12-7-11(15)8-13(14(12)16)10(4)18-6-2/h7-10,16H,5-6H2,1-4H3.
What are the key properties of 4-chloro-2,6-bis(1-ethoxyethyl)phenol?
4-chloro-2,6-bis(1-ethoxyethyl)phenol has a molecular weight of 272.77 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-bis(1-ethoxyethyl)phenol is sourced from PubChem (CID 22323621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).