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

C15H15IO2 — CID 60665273

IUPAC1-iodo-4-(3-phenoxypropoxy)benzene
SMILESIc1ccc(OCCCOc2ccccc2)cc1
InChIInChI=1S/C15H15IO2/c16-13-7-9-15(10-8-13)18-12-4-11-17-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2
InChIKeyYXNAFNLPNWCLLC-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.14
Rot. Bonds6

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

1-iodo-4-(3-phenoxypropoxy)benzene (PubChem CID 60665273) has the molecular formula C15H15IO2 and a molecular weight of 354.19 g/mol. Its IUPAC name is 1-iodo-4-(3-phenoxypropoxy)benzene.

Molecular Properties

Compound Name1-iodo-4-(3-phenoxypropoxy)benzene
PubChem CID60665273
Molecular FormulaC15H15IO2
Molecular Weight354.19 g/mol
Exact Mass354.01
IUPAC Name1-iodo-4-(3-phenoxypropoxy)benzene
SMILESIc1ccc(OCCCOc2ccccc2)cc1
InChIInChI=1S/C15H15IO2/c16-13-7-9-15(10-8-13)18-12-4-11-17-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2
InChIKeyYXNAFNLPNWCLLC-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-chlorobutoxy)-4-iodobenzene
CID 58186898
1-(4-iodophenyl)-5-phenoxypentan-1-one
CID 86194293
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
5-(4-iodophenoxy)pentanoic acid
CID 22915460
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
CID 141496951
2-phenoxyethylmercury
CID 163598363
3-phenoxypropane-1-thiol
CID 18792707
N-methyl-3-phenoxypropan-1-amine
CID 22067856
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
1-iodo-4-(5,5,5-trifluoropentoxy)benzene
CID 102202371

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(3-phenoxypropoxy)benzene?
The IUPAC name of 1-iodo-4-(3-phenoxypropoxy)benzene (CID 60665273) is 1-iodo-4-(3-phenoxypropoxy)benzene.
What is the SMILES notation for 1-iodo-4-(3-phenoxypropoxy)benzene?
The canonical SMILES for 1-iodo-4-(3-phenoxypropoxy)benzene is Ic1ccc(OCCCOc2ccccc2)cc1.
What is the InChIKey of 1-iodo-4-(3-phenoxypropoxy)benzene?
The InChIKey is YXNAFNLPNWCLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO2/c16-13-7-9-15(10-8-13)18-12-4-11-17-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2.
What are the key properties of 1-iodo-4-(3-phenoxypropoxy)benzene?
1-iodo-4-(3-phenoxypropoxy)benzene has a molecular weight of 354.19 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(3-phenoxypropoxy)benzene is sourced from PubChem (CID 60665273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).