1-[2-(3,4-dichlorophenoxy)phenyl]ethanol

C14H12Cl2O2 — CID 54898383

IUPAC1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2O2/c1-9(17)11-4-2-3-5-14(11)18-10-6-7-12(15)13(16)8-10/h2-9,17H,1H3
InChIKeyGBOXSHYNFZDHFF-UHFFFAOYSA-N
MW283.15 g/mol
LogP4.84
Rot. Bonds3

About 1-[2-(3,4-dichlorophenoxy)phenyl]ethanol

1-[2-(3,4-dichlorophenoxy)phenyl]ethanol (PubChem CID 54898383) has the molecular formula C14H12Cl2O2 and a molecular weight of 283.15 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
PubChem CID54898383
Molecular FormulaC14H12Cl2O2
Molecular Weight283.15 g/mol
Exact Mass282.02
IUPAC Name1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2O2/c1-9(17)11-4-2-3-5-14(11)18-10-6-7-12(15)13(16)8-10/h2-9,17H,1H3
InChIKeyGBOXSHYNFZDHFF-UHFFFAOYSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol
CID 43510297
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
(1R)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 55183774
(1S)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 78941728
(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol
CID 63372506
1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 65201173
(1R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 55183055
1-[2-(4-tert-butylphenoxy)phenyl]ethanol
CID 43510250
(1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol
CID 78944861
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenoxy)phenyl]ethanol?
The IUPAC name of 1-[2-(3,4-dichlorophenoxy)phenyl]ethanol (CID 54898383) is 1-[2-(3,4-dichlorophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-(3,4-dichlorophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-(3,4-dichlorophenoxy)phenyl]ethanol is CC(O)c1ccccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenoxy)phenyl]ethanol?
The InChIKey is GBOXSHYNFZDHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2/c1-9(17)11-4-2-3-5-14(11)18-10-6-7-12(15)13(16)8-10/h2-9,17H,1H3.
What are the key properties of 1-[2-(3,4-dichlorophenoxy)phenyl]ethanol?
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol has a molecular weight of 283.15 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenoxy)phenyl]ethanol is sourced from PubChem (CID 54898383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).