(1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol

C16H13IO2 — CID 101270860

IUPAC(1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2C=C[C@H]1Oc1ccccc1I
InChIInChI=1S/C16H13IO2/c17-13-7-3-4-8-14(13)19-15-10-9-11-5-1-2-6-12(11)16(15)18/h1-10,15-16,18H/t15-,16-/m1/s1
InChIKeyQYGVUZVLLVZQDI-HZPDHXFCSA-N
MW364.18 g/mol
LogP3.80
Rot. Bonds2

About (1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol

(1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol (PubChem CID 101270860) has the molecular formula C16H13IO2 and a molecular weight of 364.18 g/mol. Its IUPAC name is (1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol
PubChem CID101270860
Molecular FormulaC16H13IO2
Molecular Weight364.18 g/mol
Exact Mass364.00
IUPAC Name(1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2C=C[C@H]1Oc1ccccc1I
InChIInChI=1S/C16H13IO2/c17-13-7-3-4-8-14(13)19-15-10-9-11-5-1-2-6-12(11)16(15)18/h1-10,15-16,18H/t15-,16-/m1/s1
InChIKeyQYGVUZVLLVZQDI-HZPDHXFCSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol (CID 101270860) is (1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol is O[C@@H]1c2ccccc2C=C[C@H]1Oc1ccccc1I.
What is the InChIKey of (1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol?
The InChIKey is QYGVUZVLLVZQDI-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H13IO2/c17-13-7-3-4-8-14(13)19-15-10-9-11-5-1-2-6-12(11)16(15)18/h1-10,15-16,18H/t15-,16-/m1/s1.
What are the key properties of (1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol?
(1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol has a molecular weight of 364.18 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(2-iodophenoxy)-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 101270860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).