bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane

C27H26BrOP — CID 140538811

IUPACbromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane
SMILESCCOc1ccccc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26BrOP/c1-2-29-27-21-13-12-14-23(27)22-30(28,24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26/h3-21H,2,22H2,1H3
InChIKeyZRJWRGVARFIRIU-UHFFFAOYSA-N
MW477.38 g/mol
LogP6.43
Rot. Bonds7

About bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane

bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane (PubChem CID 140538811) has the molecular formula C27H26BrOP and a molecular weight of 477.38 g/mol. Its IUPAC name is bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane
PubChem CID140538811
Molecular FormulaC27H26BrOP
Molecular Weight477.38 g/mol
Exact Mass476.09
IUPAC Namebromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane
SMILESCCOc1ccccc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26BrOP/c1-2-29-27-21-13-12-14-23(27)22-30(28,24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26/h3-21H,2,22H2,1H3
InChIKeyZRJWRGVARFIRIU-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.38
LogP ≤ 56.43
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-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane
CID 134869477
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539
1-ethoxy-2-(methylsulfanylmethyl)benzene
CID 130225008
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
CID 65008523
3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877597
(2-ethoxyphenyl)phosphane
CID 19813759
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
1-decyl-2-ethoxybenzene
CID 175243335
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687
1-(2-ethoxyphenyl)-2-methylpropan-2-ol
CID 91658115
(2-ethoxyphenyl)methyl phenyl carbonate
CID 69009806

Frequently Asked Questions

What is the IUPAC name of bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane?
The IUPAC name of bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane (CID 140538811) is bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane is CCOc1ccccc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane?
The InChIKey is ZRJWRGVARFIRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrOP/c1-2-29-27-21-13-12-14-23(27)22-30(28,24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26/h3-21H,2,22H2,1H3.
What are the key properties of bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane?
bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane has a molecular weight of 477.38 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[(2-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 140538811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).