(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol

C15H14Cl2O2 — CID 63374748

IUPAC(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
SMILESCc1ccc(Oc2ccc([C@@H](C)O)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2O2/c1-9-3-5-14(12(16)7-9)19-15-6-4-11(10(2)18)8-13(15)17/h3-8,10,18H,1-2H3/t10-/m1/s1
InChIKeyNYQVIMQJWLAEJD-SNVBAGLBSA-N
MW297.18 g/mol
LogP5.15
Rot. Bonds3

About (1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol

(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol (PubChem CID 63374748) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
PubChem CID63374748
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
SMILESCc1ccc(Oc2ccc([C@@H](C)O)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2O2/c1-9-3-5-14(12(16)7-9)19-15-6-4-11(10(2)18)8-13(15)17/h3-8,10,18H,1-2H3/t10-/m1/s1
InChIKeyNYQVIMQJWLAEJD-SNVBAGLBSA-N
XLogP5.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.18
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]ethanol
CID 78941592
(1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 78941429
(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol
CID 78941905
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247
(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
CID 62912366
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 63540954
1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol
CID 62910643
1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 62910687

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol (CID 63374748) is (1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol is Cc1ccc(Oc2ccc([C@@H](C)O)cc2Cl)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol?
The InChIKey is NYQVIMQJWLAEJD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c1-9-3-5-14(12(16)7-9)19-15-6-4-11(10(2)18)8-13(15)17/h3-8,10,18H,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol?
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol has a molecular weight of 297.18 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 63374748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).