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

C15H14ClIO2 — CID 79009046

IUPAC(1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C15H14ClIO2/c1-10(18)14-8-12(16)4-7-15(14)19-9-11-2-5-13(17)6-3-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyNRGHPTMYLZUOSJ-JTQLQIEISA-N
MW388.63 g/mol
LogP4.58
Rot. Bonds4

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

(1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol (PubChem CID 79009046) has the molecular formula C15H14ClIO2 and a molecular weight of 388.63 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol
PubChem CID79009046
Molecular FormulaC15H14ClIO2
Molecular Weight388.63 g/mol
Exact Mass387.97
IUPAC Name(1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C15H14ClIO2/c1-10(18)14-8-12(16)4-7-15(14)19-9-11-2-5-13(17)6-3-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyNRGHPTMYLZUOSJ-JTQLQIEISA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
CID 78944255
1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918483
(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol
CID 103038370
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 55031626
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
1-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-3-methylbutan-2-ol
CID 114249646
1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol
CID 115802739
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78931561
(1R)-1-[5-chloro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 63364333

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol (CID 79009046) is (1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol is C[C@H](O)c1cc(Cl)ccc1OCc1ccc(I)cc1.
What is the InChIKey of (1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol?
The InChIKey is NRGHPTMYLZUOSJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14ClIO2/c1-10(18)14-8-12(16)4-7-15(14)19-9-11-2-5-13(17)6-3-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol?
(1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol has a molecular weight of 388.63 g/mol, XLogP of 4.58, 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-[(4-iodophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 79009046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).