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

C16H17ClO2 — CID 62912366

IUPAC1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
SMILESCc1cccc(Oc2ccc(C(C)O)cc2Cl)c1C
InChIInChI=1S/C16H17ClO2/c1-10-5-4-6-15(11(10)2)19-16-8-7-13(12(3)18)9-14(16)17/h4-9,12,18H,1-3H3
InChIKeyXKLBQEAZTXDRFP-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.80
Rot. Bonds3

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

1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol (PubChem CID 62912366) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
PubChem CID62912366
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
SMILESCc1cccc(Oc2ccc(C(C)O)cc2Cl)c1C
InChIInChI=1S/C16H17ClO2/c1-10-5-4-6-15(11(10)2)19-16-8-7-13(12(3)18)9-14(16)17/h4-9,12,18H,1-3H3
InChIKeyXKLBQEAZTXDRFP-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-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
CID 62910856
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
(1R)-1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]ethanol
CID 78941592
1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol
CID 62910643
(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 63540954
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247
(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603
(1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 78941429
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
(1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol
CID 63374618
(1R)-1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]ethanol
CID 107659139
(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol
CID 78941905

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol (CID 62912366) is 1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol is Cc1cccc(Oc2ccc(C(C)O)cc2Cl)c1C.
What is the InChIKey of 1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol?
The InChIKey is XKLBQEAZTXDRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-10-5-4-6-15(11(10)2)19-16-8-7-13(12(3)18)9-14(16)17/h4-9,12,18H,1-3H3.
What are the key properties of 1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol?
1-[3-chloro-4-(2,3-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-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol is sourced from PubChem (CID 62912366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).