1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol

C16H17ClO2 — CID 43510297

IUPAC1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol
SMILESCc1cc(Oc2ccccc2C(C)O)cc(C)c1Cl
InChIInChI=1S/C16H17ClO2/c1-10-8-13(9-11(2)16(10)17)19-15-7-5-4-6-14(15)12(3)18/h4-9,12,18H,1-3H3
InChIKeyJAQHEEHLYJJLJI-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.80
Rot. Bonds3

About 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol

1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol (PubChem CID 43510297) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol
PubChem CID43510297
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol
SMILESCc1cc(Oc2ccccc2C(C)O)cc(C)c1Cl
InChIInChI=1S/C16H17ClO2/c1-10-8-13(9-11(2)16(10)17)19-15-7-5-4-6-14(15)12(3)18/h4-9,12,18H,1-3H3
InChIKeyJAQHEEHLYJJLJI-UHFFFAOYSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-1-amine
CID 115995621
N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43283842
(1S)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 78941728
(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol
CID 63372506
(1R)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 55183774
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone
CID 43369973
(1R)-1-[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944838
1-[2-(4-tert-butylphenoxy)phenyl]ethanol
CID 43510250
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796
(1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol
CID 78944861
(1R)-1-[2-(4-tert-butyl-2-methylphenoxy)phenyl]ethanol
CID 78944803

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol (CID 43510297) is 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol is Cc1cc(Oc2ccccc2C(C)O)cc(C)c1Cl.
What is the InChIKey of 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol?
The InChIKey is JAQHEEHLYJJLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-10-8-13(9-11(2)16(10)17)19-15-7-5-4-6-14(15)12(3)18/h4-9,12,18H,1-3H3.
What are the key properties of 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol?
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol has a molecular weight of 276.76 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol is sourced from PubChem (CID 43510297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).