1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol

C14H12ClIO2 — CID 62910643

IUPAC1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2ccccc2I)c(Cl)c1
InChIInChI=1S/C14H12ClIO2/c1-9(17)10-6-7-13(11(15)8-10)18-14-5-3-2-4-12(14)16/h2-9,17H,1H3
InChIKeyYVCFBDSNVBEINF-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.79
Rot. Bonds3

About 1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol

1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol (PubChem CID 62910643) has the molecular formula C14H12ClIO2 and a molecular weight of 374.61 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol
PubChem CID62910643
Molecular FormulaC14H12ClIO2
Molecular Weight374.61 g/mol
Exact Mass373.96
IUPAC Name1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2ccccc2I)c(Cl)c1
InChIInChI=1S/C14H12ClIO2/c1-9(17)10-6-7-13(11(15)8-10)18-14-5-3-2-4-12(14)16/h2-9,17H,1H3
InChIKeyYVCFBDSNVBEINF-UHFFFAOYSA-N
XLogP4.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.79
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

(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 63540954
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
CID 62912366
(1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol
CID 63374618
(1R)-1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]ethanol
CID 78941592
(1S)-1-[3-chloro-4-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 78941429
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247
(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol
CID 78941905

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol (CID 62910643) is 1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol is CC(O)c1ccc(Oc2ccccc2I)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol?
The InChIKey is YVCFBDSNVBEINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIO2/c1-9(17)10-6-7-13(11(15)8-10)18-14-5-3-2-4-12(14)16/h2-9,17H,1H3.
What are the key properties of 1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol?
1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol has a molecular weight of 374.61 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol is sourced from PubChem (CID 62910643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).