2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol

C15H14Cl2O3 — CID 78879031

IUPAC2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol
SMILESOCCOc1ccccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2O3/c16-12-4-3-5-13(17)11(12)10-20-15-7-2-1-6-14(15)19-9-8-18/h1-7,18H,8-10H2
InChIKeyIPAYRXHHXKKETJ-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.94
Rot. Bonds6

About 2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol

2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol (PubChem CID 78879031) has the molecular formula C15H14Cl2O3 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol
PubChem CID78879031
Molecular FormulaC15H14Cl2O3
Molecular Weight313.18 g/mol
Exact Mass312.03
IUPAC Name2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol
SMILESOCCOc1ccccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2O3/c16-12-4-3-5-13(17)11(12)10-20-15-7-2-1-6-14(15)19-9-8-18/h1-7,18H,8-10H2
InChIKeyIPAYRXHHXKKETJ-UHFFFAOYSA-N
XLogP3.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
[2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677225
potassium [2-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677224
2-[(2-amino-6-chlorophenyl)methoxy]benzamide
CID 63745089
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol
CID 22382209
2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol
CID 116689707
N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382695
2-[8-(2-hydroxyethoxy)naphthalen-1-yl]oxyethanol
CID 21424545
2-[2-[[2-(difluoromethoxy)phenyl]methoxy]phenoxy]ethanol
CID 78878305
[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol
CID 114525693
2-(3-methoxy-2-phenylphenoxy)ethanol
CID 91364527

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol?
The IUPAC name of 2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol (CID 78879031) is 2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol?
The canonical SMILES for 2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol is OCCOc1ccccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol?
The InChIKey is IPAYRXHHXKKETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O3/c16-12-4-3-5-13(17)11(12)10-20-15-7-2-1-6-14(15)19-9-8-18/h1-7,18H,8-10H2.
What are the key properties of 2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol?
2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol has a molecular weight of 313.18 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol is sourced from PubChem (CID 78879031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).