(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol

C15H13Cl2FO2 — CID 103038370

IUPAC(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13Cl2FO2/c1-9(19)12-7-11(16)3-5-15(12)20-8-10-2-4-14(18)13(17)6-10/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyQBQUHQVCXSWZDW-VIFPVBQESA-N
MW315.17 g/mol
LogP4.76
Rot. Bonds4

About (1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol

(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol (PubChem CID 103038370) has the molecular formula C15H13Cl2FO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol
PubChem CID103038370
Molecular FormulaC15H13Cl2FO2
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13Cl2FO2/c1-9(19)12-7-11(16)3-5-15(12)20-8-10-2-4-14(18)13(17)6-10/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyQBQUHQVCXSWZDW-VIFPVBQESA-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

1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918483
(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
CID 78944255
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
(1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 79009046
1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 55031626
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
(1S)-1-[2-[(3-chloro-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 103037859
1-[5-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107879124
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
CID 103954685
1-[5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 63533533
(1R)-1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 63364498

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol (CID 103038370) is (1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol is C[C@H](O)c1cc(Cl)ccc1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of (1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol?
The InChIKey is QBQUHQVCXSWZDW-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13Cl2FO2/c1-9(19)12-7-11(16)3-5-15(12)20-8-10-2-4-14(18)13(17)6-10/h2-7,9,19H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol?
(1S)-1-[5-chloro-2-[(3-chloro-4-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 (1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 103038370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).