[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol

C16H15Cl2IO3 — CID 2933314

IUPAC[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol
SMILESCCOc1cc(CO)cc(I)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2IO3/c1-2-21-15-6-10(8-20)5-14(19)16(15)22-9-11-3-4-12(17)7-13(11)18/h3-7,20H,2,8-9H2,1H3
InChIKeyRIJXPCDBBITVCA-UHFFFAOYSA-N
MW453.10 g/mol
LogP5.07
Rot. Bonds6

About [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol

[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol (PubChem CID 2933314) has the molecular formula C16H15Cl2IO3 and a molecular weight of 453.10 g/mol. Its IUPAC name is [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol.

Molecular Properties

Compound Name[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol
PubChem CID2933314
Molecular FormulaC16H15Cl2IO3
Molecular Weight453.10 g/mol
Exact Mass451.94
IUPAC Name[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol
SMILESCCOc1cc(CO)cc(I)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2IO3/c1-2-21-15-6-10(8-20)5-14(19)16(15)22-9-11-3-4-12(17)7-13(11)18/h3-7,20H,2,8-9H2,1H3
InChIKeyRIJXPCDBBITVCA-UHFFFAOYSA-N
XLogP5.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.10
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methyl]-2-methylaniline
CID 126127342
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methyl]-3-methylaniline
CID 126127015
[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(2-hydroxyethyl)azanium
CID 2200478
2-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethanol
CID 2200479
2-[2-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethylamino]ethanol
CID 4720644
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99945092
[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methanol
CID 45371652
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126217711
3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methyl]aniline
CID 126373585
methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682249
1-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-methylmethanamine;hydrochloride
CID 17290699
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-ethoxybenzamide
CID 17246204

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol?
The IUPAC name of [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol (CID 2933314) is [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol.
What is the SMILES notation for [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol?
The canonical SMILES for [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol is CCOc1cc(CO)cc(I)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol?
The InChIKey is RIJXPCDBBITVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2IO3/c1-2-21-15-6-10(8-20)5-14(19)16(15)22-9-11-3-4-12(17)7-13(11)18/h3-7,20H,2,8-9H2,1H3.
What are the key properties of [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol?
[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol has a molecular weight of 453.10 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methanol is sourced from PubChem (CID 2933314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).