iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane

C26H24IOP — CID 140526465

IUPACiodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane
SMILESCOc1ccc(CP(I)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24IOP/c1-28-23-19-17-22(18-20-23)21-29(27,24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21H2,1H3
InChIKeyYMHNOEXQJRYEPH-UHFFFAOYSA-N
MW510.36 g/mol
LogP6.07
Rot. Bonds6

About iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane

iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane (PubChem CID 140526465) has the molecular formula C26H24IOP and a molecular weight of 510.36 g/mol. Its IUPAC name is iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Nameiodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane
PubChem CID140526465
Molecular FormulaC26H24IOP
Molecular Weight510.36 g/mol
Exact Mass510.06
IUPAC Nameiodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane
SMILESCOc1ccc(CP(I)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24IOP/c1-28-23-19-17-22(18-20-23)21-29(27,24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21H2,1H3
InChIKeyYMHNOEXQJRYEPH-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.36
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
chloro-[(6-methoxynaphthalen-2-yl)methyl]-triphenyl-λ5-phosphane
CID 139877593
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187

Frequently Asked Questions

What is the IUPAC name of iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane?
The IUPAC name of iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane (CID 140526465) is iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane is COc1ccc(CP(I)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane?
The InChIKey is YMHNOEXQJRYEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24IOP/c1-28-23-19-17-22(18-20-23)21-29(27,24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21H2,1H3.
What are the key properties of iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane?
iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane has a molecular weight of 510.36 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-[(4-methoxyphenyl)methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 140526465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).