bromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane

C27H26BrOP — CID 139754467

IUPACbromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane
SMILESCCOc1ccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26BrOP/c1-2-29-24-20-18-23(19-21-24)22-30(28,25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21H,2,22H2,1H3
InChIKeyRNJVRWQPEAYSPY-UHFFFAOYSA-N
MW477.38 g/mol
LogP6.43
Rot. Bonds7

About bromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane

bromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane (PubChem CID 139754467) has the molecular formula C27H26BrOP and a molecular weight of 477.38 g/mol. Its IUPAC name is bromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane
PubChem CID139754467
Molecular FormulaC27H26BrOP
Molecular Weight477.38 g/mol
Exact Mass476.09
IUPAC Namebromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane
SMILESCCOc1ccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26BrOP/c1-2-29-24-20-18-23(19-21-24)22-30(28,25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21H,2,22H2,1H3
InChIKeyRNJVRWQPEAYSPY-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

ethoxybenzene chloride
CID 21193593
ethoxybenzene;molecular iodine
CID 67763605
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
ethoxybenzene;ethoxyethane
CID 67764259
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
(4-ethoxyphenyl)methyl benzoate
CID 91595481
(4-ethoxyphenyl)methyl-triphenylphosphanium;dihydrochloride
CID 174834857
(4-ethoxyphenyl)methyl-triphenylphosphanium bromide
CID 2724470
ethoxybenzene tetrafluoroborate
CID 174807216
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene
CID 107086638
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622

Frequently Asked Questions

What is the IUPAC name of bromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane?
The IUPAC name of bromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane (CID 139754467) is bromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane is CCOc1ccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane?
The InChIKey is RNJVRWQPEAYSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrOP/c1-2-29-24-20-18-23(19-21-24)22-30(28,25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21H,2,22H2,1H3.
What are the key properties of bromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane?
bromo-[(4-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-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 139754467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).