2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide

C17H28BrO2P — CID 23197366

IUPAC2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide
SMILESCc1c(O)cc2c(c1C)OC(C)(CC[P+](C)(C)C)CC2.[Br-]
InChIInChI=1S/C17H27O2P.BrH/c1-12-13(2)16-14(11-15(12)18)7-8-17(3,19-16)9-10-20(4,5)6;/h11H,7-10H2,1-6H3;1H
InChIKeyUCEBOZBHGJKPEC-UHFFFAOYSA-N
MW375.29 g/mol
LogP1.39
Rot. Bonds3

About 2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide

2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide (PubChem CID 23197366) has the molecular formula C17H28BrO2P and a molecular weight of 375.29 g/mol. Its IUPAC name is 2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide.

Molecular Properties

Compound Name2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide
PubChem CID23197366
Molecular FormulaC17H28BrO2P
Molecular Weight375.29 g/mol
Exact Mass374.10
IUPAC Name2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide
SMILESCc1c(O)cc2c(c1C)OC(C)(CC[P+](C)(C)C)CC2.[Br-]
InChIInChI=1S/C17H27O2P.BrH/c1-12-13(2)16-14(11-15(12)18)7-8-17(3,19-16)9-10-20(4,5)6;/h11H,7-10H2,1-6H3;1H
InChIKeyUCEBOZBHGJKPEC-UHFFFAOYSA-N
XLogP1.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide?
The IUPAC name of 2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide (CID 23197366) is 2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide.
What is the SMILES notation for 2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide?
The canonical SMILES for 2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide is Cc1c(O)cc2c(c1C)OC(C)(CC[P+](C)(C)C)CC2.[Br-].
What is the InChIKey of 2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide?
The InChIKey is UCEBOZBHGJKPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27O2P.BrH/c1-12-13(2)16-14(11-15(12)18)7-8-17(3,19-16)9-10-20(4,5)6;/h11H,7-10H2,1-6H3;1H.
What are the key properties of 2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide?
2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide has a molecular weight of 375.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylphosphanium bromide is sourced from PubChem (CID 23197366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).