1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol

C15H14ClIO2 — CID 115802739

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)Cc1ccc(I)cc1
InChIInChI=1S/C15H14ClIO2/c1-19-15-7-4-11(16)9-13(15)14(18)8-10-2-5-12(17)6-3-10/h2-7,9,14,18H,8H2,1H3
InChIKeySYOWXYGLBAWKSL-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.23
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol

1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol (PubChem CID 115802739) has the molecular formula C15H14ClIO2 and a molecular weight of 388.63 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol
PubChem CID115802739
Molecular FormulaC15H14ClIO2
Molecular Weight388.63 g/mol
Exact Mass387.97
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)Cc1ccc(I)cc1
InChIInChI=1S/C15H14ClIO2/c1-19-15-7-4-11(16)9-13(15)14(18)8-10-2-5-12(17)6-3-10/h2-7,9,14,18H,8H2,1H3
InChIKeySYOWXYGLBAWKSL-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115
1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylethanol
CID 55116184
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786093
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
CID 63017540
(1S)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-ol
CID 97293631
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
(1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 79009046
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115833919
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 82802069
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115826173

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol (CID 115802739) is 1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol is COc1ccc(Cl)cc1C(O)Cc1ccc(I)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol?
The InChIKey is SYOWXYGLBAWKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIO2/c1-19-15-7-4-11(16)9-13(15)14(18)8-10-2-5-12(17)6-3-10/h2-7,9,14,18H,8H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol?
1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol has a molecular weight of 388.63 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol is sourced from PubChem (CID 115802739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).