[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite

C16H17IO3 — CID 118398991

IUPAC[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite
SMILESCOc1ccc(C(C)(C)c2ccc(OOI)cc2)cc1
InChIInChI=1S/C16H17IO3/c1-16(2,12-4-8-14(18-3)9-5-12)13-6-10-15(11-7-13)19-20-17/h4-11H,1-3H3
InChIKeyVYYMTQWSUPCQMY-UHFFFAOYSA-N
MW384.21 g/mol
LogP4.68
Rot. Bonds5

About [4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite

[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite (PubChem CID 118398991) has the molecular formula C16H17IO3 and a molecular weight of 384.21 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite
PubChem CID118398991
Molecular FormulaC16H17IO3
Molecular Weight384.21 g/mol
Exact Mass384.02
IUPAC Name[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite
SMILESCOc1ccc(C(C)(C)c2ccc(OOI)cc2)cc1
InChIInChI=1S/C16H17IO3/c1-16(2,12-4-8-14(18-3)9-5-12)13-6-10-15(11-7-13)19-20-17/h4-11H,1-3H3
InChIKeyVYYMTQWSUPCQMY-UHFFFAOYSA-N
XLogP4.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenoxy) hypoiodite
CID 145476499
1-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717
1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium
CID 59043103
ethane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] ethaneperoxoate
CID 91574061
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene
CID 163733614
buta-1,3-diene;(Z)-but-2-ene;ethane;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 144595651
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
methanol;1-methoxy-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 144743530
1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene
CID 123567151

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite?
The IUPAC name of [4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite (CID 118398991) is [4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite?
The canonical SMILES for [4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite is COc1ccc(C(C)(C)c2ccc(OOI)cc2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite?
The InChIKey is VYYMTQWSUPCQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO3/c1-16(2,12-4-8-14(18-3)9-5-12)13-6-10-15(11-7-13)19-20-17/h4-11H,1-3H3.
What are the key properties of [4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite?
[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite has a molecular weight of 384.21 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite is sourced from PubChem (CID 118398991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).