4-(4-bromophenyl)butoxy-iodophosphane

C10H13BrIOP — CID 164861189

IUPAC4-(4-bromophenyl)butoxy-iodophosphane
SMILESBrc1ccc(CCCCOPI)cc1
InChIInChI=1S/C10H13BrIOP/c11-10-6-4-9(5-7-10)3-1-2-8-13-14-12/h4-7,14H,1-3,8H2
InChIKeyHHOQAZBILSZQTR-UHFFFAOYSA-N
MW387.00 g/mol
LogP4.73
Rot. Bonds6

About 4-(4-bromophenyl)butoxy-iodophosphane

4-(4-bromophenyl)butoxy-iodophosphane (PubChem CID 164861189) has the molecular formula C10H13BrIOP and a molecular weight of 387.00 g/mol. Its IUPAC name is 4-(4-bromophenyl)butoxy-iodophosphane.

Molecular Properties

Compound Name4-(4-bromophenyl)butoxy-iodophosphane
PubChem CID164861189
Molecular FormulaC10H13BrIOP
Molecular Weight387.00 g/mol
Exact Mass385.89
IUPAC Name4-(4-bromophenyl)butoxy-iodophosphane
SMILESBrc1ccc(CCCCOPI)cc1
InChIInChI=1S/C10H13BrIOP/c11-10-6-4-9(5-7-10)3-1-2-8-13-14-12/h4-7,14H,1-3,8H2
InChIKeyHHOQAZBILSZQTR-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.00
LogP ≤ 54.73
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
10-(4-bromophenyl)decan-1-amine
CID 70564089
1-bromo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799162
1-bromo-4-[12-[12-(4-bromophenyl)dodecylsulfanyl]dodecyl]benzene
CID 141294018
O-[2-(4-bromophenyl)ethyl]hydroxylamine
CID 83486185
1-bromo-4-[4-[4-(trifluoromethoxy)phenyl]butyl]benzene
CID 90901718
bis[2-(4-bromophenyl)ethyl] pentanedioate
CID 91727849
1-bromo-4-[9-(3-methylphenyl)nonyl]benzene
CID 123837284
1-bromo-4-[2-(4-nonylphenyl)ethynyl]benzene
CID 71382203

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)butoxy-iodophosphane?
The IUPAC name of 4-(4-bromophenyl)butoxy-iodophosphane (CID 164861189) is 4-(4-bromophenyl)butoxy-iodophosphane.
What is the SMILES notation for 4-(4-bromophenyl)butoxy-iodophosphane?
The canonical SMILES for 4-(4-bromophenyl)butoxy-iodophosphane is Brc1ccc(CCCCOPI)cc1.
What is the InChIKey of 4-(4-bromophenyl)butoxy-iodophosphane?
The InChIKey is HHOQAZBILSZQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrIOP/c11-10-6-4-9(5-7-10)3-1-2-8-13-14-12/h4-7,14H,1-3,8H2.
What are the key properties of 4-(4-bromophenyl)butoxy-iodophosphane?
4-(4-bromophenyl)butoxy-iodophosphane has a molecular weight of 387.00 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)butoxy-iodophosphane is sourced from PubChem (CID 164861189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).