(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol

C15H13Cl3O2 — CID 78944605

IUPAC(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3O2/c1-9(19)13-6-11(16)4-5-15(13)20-8-10-2-3-12(17)7-14(10)18/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyLRSNIBWSFIFMPA-VIFPVBQESA-N
MW331.63 g/mol
LogP5.28
Rot. Bonds4

About (1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol

(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol (PubChem CID 78944605) has the molecular formula C15H13Cl3O2 and a molecular weight of 331.63 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
PubChem CID78944605
Molecular FormulaC15H13Cl3O2
Molecular Weight331.63 g/mol
Exact Mass330.00
IUPAC Name(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3O2/c1-9(19)13-6-11(16)4-5-15(13)20-8-10-2-3-12(17)7-14(10)18/h2-7,9,19H,8H2,1H3/t9-/m0/s1
InChIKeyLRSNIBWSFIFMPA-VIFPVBQESA-N
XLogP5.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.63
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol with MolForge

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Related Compounds

3-chloro-4-[[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 102668674
3-chloro-4-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 102668673
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 62074774
(1R)-1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002286
(1R)-1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 63364498
(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78931561
(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
CID 103954685
(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
CID 63364418
(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol
CID 103038370
(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
CID 78944255

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol (CID 78944605) is (1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol is C[C@H](O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol?
The InChIKey is LRSNIBWSFIFMPA-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13Cl3O2/c1-9(19)13-6-11(16)4-5-15(13)20-8-10-2-3-12(17)7-14(10)18/h2-7,9,19H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol?
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol has a molecular weight of 331.63 g/mol, XLogP of 5.28, 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-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78944605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).