2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide

C21H23O4P — CID 118536941

IUPAC2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide
SMILESCCOP1(=O)OC(c2ccc(C)cc2)=C(c2ccc(OC)cc2)C=C1C
InChIInChI=1S/C21H23O4P/c1-5-24-26(22)16(3)14-20(17-10-12-19(23-4)13-11-17)21(25-26)18-8-6-15(2)7-9-18/h6-14H,5H2,1-4H3
InChIKeyYBGHODPMUACGNQ-UHFFFAOYSA-N
MW370.39 g/mol
LogP6.04
Rot. Bonds5

About 2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide

2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide (PubChem CID 118536941) has the molecular formula C21H23O4P and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide.

Molecular Properties

Compound Name2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide
PubChem CID118536941
Molecular FormulaC21H23O4P
Molecular Weight370.39 g/mol
Exact Mass370.13
IUPAC Name2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide
SMILESCCOP1(=O)OC(c2ccc(C)cc2)=C(c2ccc(OC)cc2)C=C1C
InChIInChI=1S/C21H23O4P/c1-5-24-26(22)16(3)14-20(17-10-12-19(23-4)13-11-17)21(25-26)18-8-6-15(2)7-9-18/h6-14H,5H2,1-4H3
InChIKeyYBGHODPMUACGNQ-UHFFFAOYSA-N
XLogP6.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.39
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-methylbenzene;propane
CID 142064987
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-(113C)methoxy-4-methylbenzene
CID 166176950
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-ethoxy-6-methoxy-3-phenyl-4-phenylselanyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 170556112
3-butyl-2-ethoxy-4-(4-methoxyphenyl)-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide
CID 25214874
2-ethoxy-3-(4-methylphenyl)-2-oxo-1,2λ5-benzoxaphosphinin-4-ol
CID 101373984
methyl (E)-3-[2-ethoxy-4-(4-methoxyphenyl)-5,7-dimethyl-2-oxo-1,2λ5-benzoxaphosphinin-3-yl]prop-2-enoate
CID 142733799
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide?
The IUPAC name of 2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide (CID 118536941) is 2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide.
What is the SMILES notation for 2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide?
The canonical SMILES for 2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide is CCOP1(=O)OC(c2ccc(C)cc2)=C(c2ccc(OC)cc2)C=C1C.
What is the InChIKey of 2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide?
The InChIKey is YBGHODPMUACGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23O4P/c1-5-24-26(22)16(3)14-20(17-10-12-19(23-4)13-11-17)21(25-26)18-8-6-15(2)7-9-18/h6-14H,5H2,1-4H3.
What are the key properties of 2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide?
2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide has a molecular weight of 370.39 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(4-methoxyphenyl)-3-methyl-6-(4-methylphenyl)-1,2λ5-oxaphosphinine 2-oxide is sourced from PubChem (CID 118536941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).