1-bromo-2-methoxyethane;phosphane

C3H10BrOP — CID 87651016

IUPAC1-bromo-2-methoxyethane;phosphane
SMILESCOCCBr.P
InChIInChI=1S/C3H7BrO.H3P/c1-5-3-2-4;/h2-3H2,1H3;1H3
InChIKeyYDOGGCJQUYWFKD-UHFFFAOYSA-N
MW172.99 g/mol
LogP1.09
Rot. Bonds2

About 1-bromo-2-methoxyethane;phosphane

1-bromo-2-methoxyethane;phosphane (PubChem CID 87651016) has the molecular formula C3H10BrOP and a molecular weight of 172.99 g/mol. Its IUPAC name is 1-bromo-2-methoxyethane;phosphane.

Molecular Properties

Compound Name1-bromo-2-methoxyethane;phosphane
PubChem CID87651016
Molecular FormulaC3H10BrOP
Molecular Weight172.99 g/mol
Exact Mass171.97
IUPAC Name1-bromo-2-methoxyethane;phosphane
SMILESCOCCBr.P
InChIInChI=1S/C3H7BrO.H3P/c1-5-3-2-4;/h2-3H2,1H3;1H3
InChIKeyYDOGGCJQUYWFKD-UHFFFAOYSA-N
XLogP1.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.99
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-methoxyethane;1-bromopropane;iodomethane;methane
CID 159691608
1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane
CID 162117508
1,2-dimethoxyethane;ethane
CID 91349162
2-bromoethyl dimethyl phosphite
CID 10353282
1-bromo-3-(2-methoxyethoxy)propane
CID 15636133
1,2-dimethoxyethane;samarium
CID 174304250
1-[2-(bromomethoxy)ethoxy]-2-methoxyethane
CID 171854698
N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 114263721
gallium tris(2-methoxyethanolate)
CID 101193037
1,2-dimethoxyethane;trimethyl phosphite
CID 174958054
ethane;1-methoxypropane;propane
CID 145001283
ethane;2-methoxyethanol
CID 175109361

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxyethane;phosphane?
The IUPAC name of 1-bromo-2-methoxyethane;phosphane (CID 87651016) is 1-bromo-2-methoxyethane;phosphane.
What is the SMILES notation for 1-bromo-2-methoxyethane;phosphane?
The canonical SMILES for 1-bromo-2-methoxyethane;phosphane is COCCBr.P.
What is the InChIKey of 1-bromo-2-methoxyethane;phosphane?
The InChIKey is YDOGGCJQUYWFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrO.H3P/c1-5-3-2-4;/h2-3H2,1H3;1H3.
What are the key properties of 1-bromo-2-methoxyethane;phosphane?
1-bromo-2-methoxyethane;phosphane has a molecular weight of 172.99 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxyethane;phosphane is sourced from PubChem (CID 87651016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).