(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid

C8H7IO3 — CID 155461000

IUPAC(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid
SMILESO=C(O)[C@H](I)c1ccc(O)cc1
InChIInChI=1S/C8H7IO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,(H,11,12)/t7-/m1/s1
InChIKeyMJZZQRDTCPDNBM-SSDOTTSWSA-N
MW278.05 g/mol
LogP1.95
Rot. Bonds2

About (2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid

(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid (PubChem CID 155461000) has the molecular formula C8H7IO3 and a molecular weight of 278.05 g/mol. Its IUPAC name is (2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid
PubChem CID155461000
Molecular FormulaC8H7IO3
Molecular Weight278.05 g/mol
Exact Mass277.94
IUPAC Name(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid
SMILESO=C(O)[C@H](I)c1ccc(O)cc1
InChIInChI=1S/C8H7IO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,(H,11,12)/t7-/m1/s1
InChIKeyMJZZQRDTCPDNBM-SSDOTTSWSA-N
XLogP1.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid?
The IUPAC name of (2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid (CID 155461000) is (2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid.
What is the SMILES notation for (2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid?
The canonical SMILES for (2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid is O=C(O)[C@H](I)c1ccc(O)cc1.
What is the InChIKey of (2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid?
The InChIKey is MJZZQRDTCPDNBM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H7IO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid?
(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid has a molecular weight of 278.05 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid is sourced from PubChem (CID 155461000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).