1-iodo-4-(3-phenylmethoxypropyl)benzene

C16H17IO — CID 10937065

IUPAC1-iodo-4-(3-phenylmethoxypropyl)benzene
SMILESIc1ccc(CCCOCc2ccccc2)cc1
InChIInChI=1S/C16H17IO/c17-16-10-8-14(9-11-16)7-4-12-18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2
InChIKeyNUNIMRJZZWVKHY-UHFFFAOYSA-N
MW352.21 g/mol
LogP4.44
Rot. Bonds6

About 1-iodo-4-(3-phenylmethoxypropyl)benzene

1-iodo-4-(3-phenylmethoxypropyl)benzene (PubChem CID 10937065) has the molecular formula C16H17IO and a molecular weight of 352.21 g/mol. Its IUPAC name is 1-iodo-4-(3-phenylmethoxypropyl)benzene.

Molecular Properties

Compound Name1-iodo-4-(3-phenylmethoxypropyl)benzene
PubChem CID10937065
Molecular FormulaC16H17IO
Molecular Weight352.21 g/mol
Exact Mass352.03
IUPAC Name1-iodo-4-(3-phenylmethoxypropyl)benzene
SMILESIc1ccc(CCCOCc2ccccc2)cc1
InChIInChI=1S/C16H17IO/c17-16-10-8-14(9-11-16)7-4-12-18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2
InChIKeyNUNIMRJZZWVKHY-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-3,5-bis(3-phenylmethoxypropyl)benzene
CID 10907222
4-(4-phenylbutoxymethyl)aniline
CID 114332885
1-iodo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799167
1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene
CID 141318682
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine
CID 54429308
N-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(3-phenylmethoxypropyl)anilino]phenyl]ethyl]phenyl]-3,4-dimethyl-N-[4-(3-phenylmethoxypropyl)phenyl]aniline
CID 71277351
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
1-iodo-3-(2-phenylethoxymethyl)benzene
CID 59371407
2-bromo-5-(3-phenylpropoxymethyl)aniline
CID 115557539
[4-[(4-iodophenyl)methoxymethyl]phenyl]-diphenylsulfanium
CID 165155213
CID 136908341
CID 136908341

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(3-phenylmethoxypropyl)benzene?
The IUPAC name of 1-iodo-4-(3-phenylmethoxypropyl)benzene (CID 10937065) is 1-iodo-4-(3-phenylmethoxypropyl)benzene.
What is the SMILES notation for 1-iodo-4-(3-phenylmethoxypropyl)benzene?
The canonical SMILES for 1-iodo-4-(3-phenylmethoxypropyl)benzene is Ic1ccc(CCCOCc2ccccc2)cc1.
What is the InChIKey of 1-iodo-4-(3-phenylmethoxypropyl)benzene?
The InChIKey is NUNIMRJZZWVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO/c17-16-10-8-14(9-11-16)7-4-12-18-13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2.
What are the key properties of 1-iodo-4-(3-phenylmethoxypropyl)benzene?
1-iodo-4-(3-phenylmethoxypropyl)benzene has a molecular weight of 352.21 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(3-phenylmethoxypropyl)benzene is sourced from PubChem (CID 10937065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).