4-iodo-2-methyl-6-propan-2-ylphenol

C10H13IO — CID 158347336

IUPAC4-iodo-2-methyl-6-propan-2-ylphenol
SMILESCc1cc(I)cc(C(C)C)c1O
InChIInChI=1S/C10H13IO/c1-6(2)9-5-8(11)4-7(3)10(9)12/h4-6,12H,1-3H3
InChIKeyGRWVWWBTVMOOKQ-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.43
Rot. Bonds1

About 4-iodo-2-methyl-6-propan-2-ylphenol

4-iodo-2-methyl-6-propan-2-ylphenol (PubChem CID 158347336) has the molecular formula C10H13IO and a molecular weight of 276.12 g/mol. Its IUPAC name is 4-iodo-2-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name4-iodo-2-methyl-6-propan-2-ylphenol
PubChem CID158347336
Molecular FormulaC10H13IO
Molecular Weight276.12 g/mol
Exact Mass276.00
IUPAC Name4-iodo-2-methyl-6-propan-2-ylphenol
SMILESCc1cc(I)cc(C(C)C)c1O
InChIInChI=1S/C10H13IO/c1-6(2)9-5-8(11)4-7(3)10(9)12/h4-6,12H,1-3H3
InChIKeyGRWVWWBTVMOOKQ-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1,2-diaminoethyl]-4-iodo-6-methylphenol
CID 131026853
4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
CID 19003421
2-(2-aminopropyl)-4-iodo-6-methylphenol
CID 14265625
2-bromo-5-iodo-1,3-di(propan-2-yl)benzene
CID 86057486
2-(hydroxymethyl)-4-iodo-6-methylphenol
CID 74655415
3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol
CID 88696322
1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene
CID 177485040
2-[(1S)-1-aminoethyl]-4,6-diiodophenol
CID 130709990
2-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methyl]-4,6-dimethylphenol
CID 71213924
4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol
CID 102112540
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol
CID 68801161

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-6-propan-2-ylphenol?
The IUPAC name of 4-iodo-2-methyl-6-propan-2-ylphenol (CID 158347336) is 4-iodo-2-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 4-iodo-2-methyl-6-propan-2-ylphenol?
The canonical SMILES for 4-iodo-2-methyl-6-propan-2-ylphenol is Cc1cc(I)cc(C(C)C)c1O.
What is the InChIKey of 4-iodo-2-methyl-6-propan-2-ylphenol?
The InChIKey is GRWVWWBTVMOOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO/c1-6(2)9-5-8(11)4-7(3)10(9)12/h4-6,12H,1-3H3.
What are the key properties of 4-iodo-2-methyl-6-propan-2-ylphenol?
4-iodo-2-methyl-6-propan-2-ylphenol has a molecular weight of 276.12 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 158347336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).