2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol

C10H13IO2 — CID 162410657

IUPAC2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)O)cc1I
InChIInChI=1S/C10H13IO2/c1-6-4-9(12)7(5-8(6)11)10(2,3)13/h4-5,12-13H,1-3H3
InChIKeyPXJBPKVVZAXOHX-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.53
Rot. Bonds1

About 2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol

2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol (PubChem CID 162410657) has the molecular formula C10H13IO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol
PubChem CID162410657
Molecular FormulaC10H13IO2
Molecular Weight292.12 g/mol
Exact Mass292.00
IUPAC Name2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)O)cc1I
InChIInChI=1S/C10H13IO2/c1-6-4-9(12)7(5-8(6)11)10(2,3)13/h4-5,12-13H,1-3H3
InChIKeyPXJBPKVVZAXOHX-UHFFFAOYSA-N
XLogP2.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.53
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

2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
CID 117318718
1,1,1-trifluoro-2-(2-fluoro-5-iodo-4-methylphenyl)propan-2-ol
CID 138561765
2,4-ditert-butyl-5-methylphenol
CID 10346
4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol
CID 59518347
3-(2-hydroxypropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 84674417
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 59095314
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol
CID 117113905
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
CID 160646007
4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol
CID 70581973
4,5-dimethyl-2-(2-methylbutan-2-yl)phenol
CID 130033349

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol (CID 162410657) is 2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol is Cc1cc(O)c(C(C)(C)O)cc1I.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol?
The InChIKey is PXJBPKVVZAXOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO2/c1-6-4-9(12)7(5-8(6)11)10(2,3)13/h4-5,12-13H,1-3H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol?
2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol has a molecular weight of 292.12 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol is sourced from PubChem (CID 162410657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).