methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide

C20H22BrOP — CID 175518250

IUPACmethoxy-methyl-triphenyl-λ5-phosphane;hydrobromide
SMILESBr.COP(C)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21OP.BrH/c1-21-22(2,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,1-2H3;1H
InChIKeySHQUTYGZSLIWRT-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.29
Rot. Bonds4

About methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide

methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide (PubChem CID 175518250) has the molecular formula C20H22BrOP and a molecular weight of 389.27 g/mol. Its IUPAC name is methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide.

Molecular Properties

Compound Namemethoxy-methyl-triphenyl-λ5-phosphane;hydrobromide
PubChem CID175518250
Molecular FormulaC20H22BrOP
Molecular Weight389.27 g/mol
Exact Mass388.06
IUPAC Namemethoxy-methyl-triphenyl-λ5-phosphane;hydrobromide
SMILESBr.COP(C)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21OP.BrH/c1-21-22(2,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,1-2H3;1H
InChIKeySHQUTYGZSLIWRT-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide?
The IUPAC name of methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide (CID 175518250) is methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide.
What is the SMILES notation for methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide?
The canonical SMILES for methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide is Br.COP(C)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide?
The InChIKey is SHQUTYGZSLIWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21OP.BrH/c1-21-22(2,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,1-2H3;1H.
What are the key properties of methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide?
methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide has a molecular weight of 389.27 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-methyl-triphenyl-λ5-phosphane;hydrobromide is sourced from PubChem (CID 175518250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).