2-iodo-6-methyl-4-(oxan-2-yloxy)phenol

C12H15IO3 — CID 166783804

IUPAC2-iodo-6-methyl-4-(oxan-2-yloxy)phenol
SMILESCc1cc(OC2CCCCO2)cc(I)c1O
InChIInChI=1S/C12H15IO3/c1-8-6-9(7-10(13)12(8)14)16-11-4-2-3-5-15-11/h6-7,11,14H,2-5H2,1H3
InChIKeyUHLBVBBHUMVYKZ-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.21
Rot. Bonds2

About 2-iodo-6-methyl-4-(oxan-2-yloxy)phenol

2-iodo-6-methyl-4-(oxan-2-yloxy)phenol (PubChem CID 166783804) has the molecular formula C12H15IO3 and a molecular weight of 334.15 g/mol. Its IUPAC name is 2-iodo-6-methyl-4-(oxan-2-yloxy)phenol.

Molecular Properties

Compound Name2-iodo-6-methyl-4-(oxan-2-yloxy)phenol
PubChem CID166783804
Molecular FormulaC12H15IO3
Molecular Weight334.15 g/mol
Exact Mass334.01
IUPAC Name2-iodo-6-methyl-4-(oxan-2-yloxy)phenol
SMILESCc1cc(OC2CCCCO2)cc(I)c1O
InChIInChI=1S/C12H15IO3/c1-8-6-9(7-10(13)12(8)14)16-11-4-2-3-5-15-11/h6-7,11,14H,2-5H2,1H3
InChIKeyUHLBVBBHUMVYKZ-UHFFFAOYSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenoxy)oxane
CID 10987441
[3-iodo-5-methyl-4-(oxan-2-yloxy)phenyl]methanol
CID 176847894
2-tert-butyl-4-(oxan-2-yloxy)phenol
CID 12842791
4-(oxan-2-yloxy)phenol
CID 11745519
methyl 3,5-bis(oxan-2-yloxy)benzoate
CID 21305399
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
2-(2,5-dimethylphenoxy)oxane
CID 15305690
2-(3,5-dinitrophenoxy)oxane
CID 71368751
4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol
CID 170406702
[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
CID 25242206
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
4-(oxan-2-yloxy)benzoic acid
CID 11183645

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methyl-4-(oxan-2-yloxy)phenol?
The IUPAC name of 2-iodo-6-methyl-4-(oxan-2-yloxy)phenol (CID 166783804) is 2-iodo-6-methyl-4-(oxan-2-yloxy)phenol.
What is the SMILES notation for 2-iodo-6-methyl-4-(oxan-2-yloxy)phenol?
The canonical SMILES for 2-iodo-6-methyl-4-(oxan-2-yloxy)phenol is Cc1cc(OC2CCCCO2)cc(I)c1O.
What is the InChIKey of 2-iodo-6-methyl-4-(oxan-2-yloxy)phenol?
The InChIKey is UHLBVBBHUMVYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO3/c1-8-6-9(7-10(13)12(8)14)16-11-4-2-3-5-15-11/h6-7,11,14H,2-5H2,1H3.
What are the key properties of 2-iodo-6-methyl-4-(oxan-2-yloxy)phenol?
2-iodo-6-methyl-4-(oxan-2-yloxy)phenol has a molecular weight of 334.15 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methyl-4-(oxan-2-yloxy)phenol is sourced from PubChem (CID 166783804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).