1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene

C15H15O2P — CID 69239959

IUPAC1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene
SMILESCOc1ccccc1CC(P=O)c1ccccc1
InChIInChI=1S/C15H15O2P/c1-17-14-10-6-5-9-13(14)11-15(18-16)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
InChIKeyBKTZLVKJSSMUAO-UHFFFAOYSA-N
MW258.26 g/mol
LogP4.27
Rot. Bonds5

About 1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene

1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene (PubChem CID 69239959) has the molecular formula C15H15O2P and a molecular weight of 258.26 g/mol. Its IUPAC name is 1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene
PubChem CID69239959
Molecular FormulaC15H15O2P
Molecular Weight258.26 g/mol
Exact Mass258.08
IUPAC Name1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene
SMILESCOc1ccccc1CC(P=O)c1ccccc1
InChIInChI=1S/C15H15O2P/c1-17-14-10-6-5-9-13(14)11-15(18-16)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
InChIKeyBKTZLVKJSSMUAO-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380
N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide
CID 90028154
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one
CID 116751795
1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142108
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene?
The IUPAC name of 1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene (CID 69239959) is 1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene.
What is the SMILES notation for 1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene?
The canonical SMILES for 1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene is COc1ccccc1CC(P=O)c1ccccc1.
What is the InChIKey of 1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene?
The InChIKey is BKTZLVKJSSMUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O2P/c1-17-14-10-6-5-9-13(14)11-15(18-16)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3.
What are the key properties of 1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene?
1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene has a molecular weight of 258.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene is sourced from PubChem (CID 69239959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).