bromo-(4-methoxyphenyl)-pentylphosphane

C12H18BrOP — CID 175046504

IUPACbromo-(4-methoxyphenyl)-pentylphosphane
SMILESCCCCCP(Br)c1ccc(OC)cc1
InChIInChI=1S/C12H18BrOP/c1-3-4-5-10-15(13)12-8-6-11(14-2)7-9-12/h6-9H,3-5,10H2,1-2H3
InChIKeyZTNOSVFXZCHHIP-UHFFFAOYSA-N
MW289.15 g/mol
LogP4.30
Rot. Bonds6

About bromo-(4-methoxyphenyl)-pentylphosphane

bromo-(4-methoxyphenyl)-pentylphosphane (PubChem CID 175046504) has the molecular formula C12H18BrOP and a molecular weight of 289.15 g/mol. Its IUPAC name is bromo-(4-methoxyphenyl)-pentylphosphane.

Molecular Properties

Compound Namebromo-(4-methoxyphenyl)-pentylphosphane
PubChem CID175046504
Molecular FormulaC12H18BrOP
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Namebromo-(4-methoxyphenyl)-pentylphosphane
SMILESCCCCCP(Br)c1ccc(OC)cc1
InChIInChI=1S/C12H18BrOP/c1-3-4-5-10-15(13)12-8-6-11(14-2)7-9-12/h6-9H,3-5,10H2,1-2H3
InChIKeyZTNOSVFXZCHHIP-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butoxy-bis(4-methoxyphenyl)phosphane
CID 12682356
bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane
CID 175546536
1-methoxy-4-tetradecoxybenzene
CID 91712423
nickel;tetrakis(tris(4-methoxyphenyl)phosphane)
CID 161091437
tris(4-methoxyphenyl)-octylboranuide
CID 18400265
tetrabutylazanium;tris(4-methoxyphenyl)-pentylboranuide
CID 23284024
methoxy-bis(4-methoxyphenyl)phosphane;hydrobromide
CID 175052156
tributyl-(4-methoxyphenyl)stannane
CID 2762547
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
lithium butyl-tris(4-methoxyphenyl)boranuide
CID 139652579
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
dichlororuthenium;tris(4-methoxyphenyl)phosphane
CID 134991883

Frequently Asked Questions

What is the IUPAC name of bromo-(4-methoxyphenyl)-pentylphosphane?
The IUPAC name of bromo-(4-methoxyphenyl)-pentylphosphane (CID 175046504) is bromo-(4-methoxyphenyl)-pentylphosphane.
What is the SMILES notation for bromo-(4-methoxyphenyl)-pentylphosphane?
The canonical SMILES for bromo-(4-methoxyphenyl)-pentylphosphane is CCCCCP(Br)c1ccc(OC)cc1.
What is the InChIKey of bromo-(4-methoxyphenyl)-pentylphosphane?
The InChIKey is ZTNOSVFXZCHHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrOP/c1-3-4-5-10-15(13)12-8-6-11(14-2)7-9-12/h6-9H,3-5,10H2,1-2H3.
What are the key properties of bromo-(4-methoxyphenyl)-pentylphosphane?
bromo-(4-methoxyphenyl)-pentylphosphane has a molecular weight of 289.15 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(4-methoxyphenyl)-pentylphosphane is sourced from PubChem (CID 175046504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).