bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane

C11H16BrOP — CID 175546536

IUPACbromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane
SMILESCOc1ccc(P(Br)CC(C)C)cc1
InChIInChI=1S/C11H16BrOP/c1-9(2)8-14(12)11-6-4-10(13-3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyHXEBUJOWLSSZAS-UHFFFAOYSA-N
MW275.13 g/mol
LogP3.77
Rot. Bonds4

About bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane

bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane (PubChem CID 175546536) has the molecular formula C11H16BrOP and a molecular weight of 275.13 g/mol. Its IUPAC name is bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane.

Molecular Properties

Compound Namebromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane
PubChem CID175546536
Molecular FormulaC11H16BrOP
Molecular Weight275.13 g/mol
Exact Mass274.01
IUPAC Namebromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane
SMILESCOc1ccc(P(Br)CC(C)C)cc1
InChIInChI=1S/C11H16BrOP/c1-9(2)8-14(12)11-6-4-10(13-3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyHXEBUJOWLSSZAS-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromo-(4-methoxyphenyl)-pentylphosphane
CID 175046504
[(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane
CID 102263454
methoxy-bis(4-methoxyphenyl)phosphane;hydrobromide
CID 175052156
nickel;tetrakis(tris(4-methoxyphenyl)phosphane)
CID 161091437
bis(4-methoxyphenyl)phosphanylboranuide
CID 158317983
chloro-(4-methoxyphenyl)-methylphosphane
CID 18780199
butoxy-bis(4-methoxyphenyl)phosphane
CID 12682356
dichlororuthenium;tris(4-methoxyphenyl)phosphane
CID 134991883
(4-methoxyphenyl)silane
CID 100998160
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
(4-ethylphenyl)-bis(4-methoxyphenyl)-methylphosphanium
CID 123234194

Frequently Asked Questions

What is the IUPAC name of bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane?
The IUPAC name of bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane (CID 175546536) is bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane.
What is the SMILES notation for bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane?
The canonical SMILES for bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane is COc1ccc(P(Br)CC(C)C)cc1.
What is the InChIKey of bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane?
The InChIKey is HXEBUJOWLSSZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrOP/c1-9(2)8-14(12)11-6-4-10(13-3)5-7-11/h4-7,9H,8H2,1-3H3.
What are the key properties of bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane?
bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane has a molecular weight of 275.13 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane is sourced from PubChem (CID 175546536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).