1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol

C15H15IO2 — CID 65476801

IUPAC1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1cccc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C15H15IO2/c1-11(17)13-3-2-4-15(9-13)18-10-12-5-7-14(16)8-6-12/h2-9,11,17H,10H2,1H3
InChIKeyKHTFAUHNBOFPNT-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.92
Rot. Bonds4

About 1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol

1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol (PubChem CID 65476801) has the molecular formula C15H15IO2 and a molecular weight of 354.19 g/mol. Its IUPAC name is 1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol
PubChem CID65476801
Molecular FormulaC15H15IO2
Molecular Weight354.19 g/mol
Exact Mass354.01
IUPAC Name1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1cccc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C15H15IO2/c1-11(17)13-3-2-4-15(9-13)18-10-12-5-7-14(16)8-6-12/h2-9,11,17H,10H2,1H3
InChIKeyKHTFAUHNBOFPNT-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.92
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-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
(1S)-1-[3-[(4-bromophenyl)methoxy]phenyl]ethanol
CID 78933407
(1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol
CID 55190777
(1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78933667
1-iodo-4-[(3-methylphenoxy)methyl]benzene
CID 65490135
(1S,2R)-1-(4-iodophenyl)-2-(3-phenylmethoxyphenyl)-2-sulfanylethanol
CID 11271176
1-[3-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939820
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 107720343
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
2-[4-[(3-iodophenoxy)methyl]phenyl]propanoic acid
CID 105344905
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol (CID 65476801) is 1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol is CC(O)c1cccc(OCc2ccc(I)cc2)c1.
What is the InChIKey of 1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol?
The InChIKey is KHTFAUHNBOFPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO2/c1-11(17)13-3-2-4-15(9-13)18-10-12-5-7-14(16)8-6-12/h2-9,11,17H,10H2,1H3.
What are the key properties of 1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol?
1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol has a molecular weight of 354.19 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 65476801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).