1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene

C15H15O2P — CID 69239963

IUPAC1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene
SMILESCOc1ccc(Cc2ccccc2CP=O)cc1
InChIInChI=1S/C15H15O2P/c1-17-15-8-6-12(7-9-15)10-13-4-2-3-5-14(13)11-18-16/h2-9H,10-11H2,1H3
InChIKeyLJLFWZXHTNWKBI-UHFFFAOYSA-N
MW258.26 g/mol
LogP4.08
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene

1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene (PubChem CID 69239963) has the molecular formula C15H15O2P and a molecular weight of 258.26 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene
PubChem CID69239963
Molecular FormulaC15H15O2P
Molecular Weight258.26 g/mol
Exact Mass258.08
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene
SMILESCOc1ccc(Cc2ccccc2CP=O)cc1
InChIInChI=1S/C15H15O2P/c1-17-15-8-6-12(7-9-15)10-13-4-2-3-5-14(13)11-18-16/h2-9H,10-11H2,1H3
InChIKeyLJLFWZXHTNWKBI-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene 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

2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
[2-[(4-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335204
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
[2-[(4-methoxyphenyl)methyl]phenyl]methylhydrazine;hydrochloride
CID 69400948
1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 71499549
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
[2-[(4-methoxyphenyl)methyl]phenyl]-[2-[2-[(4-methoxyphenyl)methyl]phenyl]phosphanylethenyl]phosphane
CID 57130204
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylphosphane
CID 174887111
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene (CID 69239963) is 1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene is COc1ccc(Cc2ccccc2CP=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene?
The InChIKey is LJLFWZXHTNWKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O2P/c1-17-15-8-6-12(7-9-15)10-13-4-2-3-5-14(13)11-18-16/h2-9H,10-11H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene?
1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene has a molecular weight of 258.26 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene is sourced from PubChem (CID 69239963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).