2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol

C10H12INO — CID 130648349

IUPAC2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol
SMILESOc1ccc([C@@H]2CCNC2)cc1I
InChIInChI=1S/C10H12INO/c11-9-5-7(1-2-10(9)13)8-3-4-12-6-8/h1-2,5,8,12-13H,3-4,6H2/t8-/m1/s1
InChIKeyXAYDMTAFWPAASX-MRVPVSSYSA-N
MW289.12 g/mol
LogP2.07
Rot. Bonds1

About 2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol

2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol (PubChem CID 130648349) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol
PubChem CID130648349
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol
SMILESOc1ccc([C@@H]2CCNC2)cc1I
InChIInChI=1S/C10H12INO/c11-9-5-7(1-2-10(9)13)8-3-4-12-6-8/h1-2,5,8,12-13H,3-4,6H2/t8-/m1/s1
InChIKeyXAYDMTAFWPAASX-MRVPVSSYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4-chloro-3-iodophenyl)pyrrolidine
CID 131162893
2-bromo-4-pyrrolidin-3-ylphenol
CID 82622109
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
4-[(2S)-azetidin-2-yl]-2-iodophenol
CID 131093633
(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine
CID 130969820
3-pyrrolidin-3-ylphenol
CID 12937992
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
2-iodo-4-[(2S)-piperidin-2-yl]phenol
CID 130646263
2-methyl-4-piperidin-3-ylphenol
CID 84663479
3-(3-iodophenyl)pyrrolidine;hydrochloride
CID 169498448
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
2-hydroxy-5-piperidin-3-ylbenzonitrile
CID 84776785

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol?
The IUPAC name of 2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol (CID 130648349) is 2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol.
What is the SMILES notation for 2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol?
The canonical SMILES for 2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol is Oc1ccc([C@@H]2CCNC2)cc1I.
What is the InChIKey of 2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol?
The InChIKey is XAYDMTAFWPAASX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12INO/c11-9-5-7(1-2-10(9)13)8-3-4-12-6-8/h1-2,5,8,12-13H,3-4,6H2/t8-/m1/s1.
What are the key properties of 2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol?
2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol has a molecular weight of 289.12 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol is sourced from PubChem (CID 130648349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).