(1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol

C14H12INO4 — CID 63372390

IUPAC(1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2cccc(I)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12INO4/c1-9(17)10-5-6-14(13(7-10)16(18)19)20-12-4-2-3-11(15)8-12/h2-9,17H,1H3/t9-/m1/s1
InChIKeyPRYUPIPBSHNJLP-SECBINFHSA-N
MW385.16 g/mol
LogP4.05
Rot. Bonds4

About (1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol

(1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol (PubChem CID 63372390) has the molecular formula C14H12INO4 and a molecular weight of 385.16 g/mol. Its IUPAC name is (1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol
PubChem CID63372390
Molecular FormulaC14H12INO4
Molecular Weight385.16 g/mol
Exact Mass384.98
IUPAC Name(1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2cccc(I)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12INO4/c1-9(17)10-5-6-14(13(7-10)16(18)19)20-12-4-2-3-11(15)8-12/h2-9,17H,1H3/t9-/m1/s1
InChIKeyPRYUPIPBSHNJLP-SECBINFHSA-N
XLogP4.05
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-(3-fluorophenoxy)-3-nitrophenyl]ethanol
CID 63372353
(1S)-1-[3-(2,4-dinitrophenoxy)phenyl]ethanol
CID 52506797
1-(3-nitro-4-pyridin-3-yloxyphenyl)ethanol
CID 43506591
1-[4-(4-methylphenoxy)-3-nitrophenyl]ethanol
CID 43506318
(1R)-1-[4-(3,5-dimethylphenoxy)-3-nitrophenyl]ethanol
CID 63372315
1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanone
CID 9112145
(1S)-1-[4-(4-chloro-3-methylphenoxy)-3-nitrophenyl]ethanol
CID 78938640
(1R)-1-[4-(4-methylsulfanylphenoxy)-3-nitrophenyl]ethanol
CID 63647157
(1R)-1-[4-(3-bromo-5-fluorophenoxy)-3-nitrophenyl]ethanol
CID 81314476
(1S)-1-[4-(3-bromo-5-fluorophenoxy)-3-nitrophenyl]ethanol
CID 81314478
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806
2,4-dinitro-1-(3-propan-2-ylphenoxy)benzene
CID 9108889

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol (CID 63372390) is (1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol is C[C@@H](O)c1ccc(Oc2cccc(I)c2)c([N+](=O)[O-])c1.
What is the InChIKey of (1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol?
The InChIKey is PRYUPIPBSHNJLP-SECBINFHSA-N. The full InChI is InChI=1S/C14H12INO4/c1-9(17)10-5-6-14(13(7-10)16(18)19)20-12-4-2-3-11(15)8-12/h2-9,17H,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol?
(1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol has a molecular weight of 385.16 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanol is sourced from PubChem (CID 63372390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).