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

C14H11Cl2FO2 — CID 78952850

IUPAC(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc(F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H11Cl2FO2/c1-8(18)9-2-5-14(12(16)6-9)19-10-3-4-13(17)11(15)7-10/h2-8,18H,1H3/t8-/m1/s1
InChIKeyQROHAXRXWOEOEA-MRVPVSSYSA-N
MW301.14 g/mol
LogP4.98
Rot. Bonds3

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

(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol (PubChem CID 78952850) has the molecular formula C14H11Cl2FO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
PubChem CID78952850
Molecular FormulaC14H11Cl2FO2
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc(F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H11Cl2FO2/c1-8(18)9-2-5-14(12(16)6-9)19-10-3-4-13(17)11(15)7-10/h2-8,18H,1H3/t8-/m1/s1
InChIKeyQROHAXRXWOEOEA-MRVPVSSYSA-N
XLogP4.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine
CID 63878644
(1S)-1-[4-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 63374529
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 63540494
1-[3-bromo-4-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82716734
4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide
CID 62911692
(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol
CID 78941905
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol (CID 78952850) is (1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol is C[C@@H](O)c1ccc(Oc2ccc(F)c(Cl)c2)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol?
The InChIKey is QROHAXRXWOEOEA-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11Cl2FO2/c1-8(18)9-2-5-14(12(16)6-9)19-10-3-4-13(17)11(15)7-10/h2-8,18H,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol?
(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol has a molecular weight of 301.14 g/mol, XLogP of 4.98, 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-(3-chloro-4-fluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 78952850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).