1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene

C16H17IO — CID 65491120

IUPAC1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene
SMILESCC(C)c1ccccc1OCc1ccc(I)cc1
InChIInChI=1S/C16H17IO/c1-12(2)15-5-3-4-6-16(15)18-11-13-7-9-14(17)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyJFPPPSHOIQLEIG-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.99
Rot. Bonds4

About 1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene

1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene (PubChem CID 65491120) has the molecular formula C16H17IO and a molecular weight of 352.22 g/mol. Its IUPAC name is 1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene
PubChem CID65491120
Molecular FormulaC16H17IO
Molecular Weight352.22 g/mol
Exact Mass352.03
IUPAC Name1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene
SMILESCC(C)c1ccccc1OCc1ccc(I)cc1
InChIInChI=1S/C16H17IO/c1-12(2)15-5-3-4-6-16(15)18-11-13-7-9-14(17)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyJFPPPSHOIQLEIG-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(2-propan-2-ylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62459431
1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
CID 65490532
1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene
CID 60627375
(1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973755
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
CID 60627362
1-iodo-4-[(2-phenylphenoxy)methyl]benzene
CID 65489526
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
CID 60879192
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627388
(1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 79009046

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene?
The IUPAC name of 1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene (CID 65491120) is 1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene.
What is the SMILES notation for 1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene?
The canonical SMILES for 1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene is CC(C)c1ccccc1OCc1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene?
The InChIKey is JFPPPSHOIQLEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO/c1-12(2)15-5-3-4-6-16(15)18-11-13-7-9-14(17)10-8-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene?
1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene has a molecular weight of 352.22 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene is sourced from PubChem (CID 65491120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).