(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol

C15H13Cl2FO2 — CID 103954685

IUPAC(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C15H13Cl2FO2/c1-9(19)12-7-11(16)5-6-14(12)20-8-10-3-2-4-13(18)15(10)17/h2-7,9,19H,8H2,1H3/t9-/m1/s1
InChIKeyQYWFMZBZSWHZSN-SECBINFHSA-N
MW315.17 g/mol
LogP4.76
Rot. Bonds4

About (1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol

(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol (PubChem CID 103954685) has the molecular formula C15H13Cl2FO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is (1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
PubChem CID103954685
Molecular FormulaC15H13Cl2FO2
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C15H13Cl2FO2/c1-9(19)12-7-11(16)5-6-14(12)20-8-10-3-2-4-13(18)15(10)17/h2-7,9,19H,8H2,1H3/t9-/m1/s1
InChIKeyQYWFMZBZSWHZSN-SECBINFHSA-N
XLogP4.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 103954698
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115984032
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 62074774
(1R)-1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 63364498
(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 102856296
1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918483
(1R)-1-[2-[(2,3-dichlorophenyl)methoxy]-5-methylphenyl]ethanol
CID 107306824
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 112651722
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol (CID 103954685) is (1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol is C[C@@H](O)c1cc(Cl)ccc1OCc1cccc(F)c1Cl.
What is the InChIKey of (1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol?
The InChIKey is QYWFMZBZSWHZSN-SECBINFHSA-N. The full InChI is InChI=1S/C15H13Cl2FO2/c1-9(19)12-7-11(16)5-6-14(12)20-8-10-3-2-4-13(18)15(10)17/h2-7,9,19H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol?
(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol has a molecular weight of 315.17 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 103954685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).