methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate

C30H25O3P — CID 172879360

IUPACmethyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate
SMILESCOC(=O)C1=P(c2ccccc2)(c2ccccc2)c2ccccc2C(c2cccc(OC)c2)=C1
InChIInChI=1S/C30H25O3P/c1-32-23-13-11-12-22(20-23)27-21-29(30(31)33-2)34(24-14-5-3-6-15-24,25-16-7-4-8-17-25)28-19-10-9-18-26(27)28/h3-21H,1-2H3
InChIKeyCOWPWOHBBIECCM-UHFFFAOYSA-N
MW464.50 g/mol
LogP4.78
Rot. Bonds5

About methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate

methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate (PubChem CID 172879360) has the molecular formula C30H25O3P and a molecular weight of 464.50 g/mol. Its IUPAC name is methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate
PubChem CID172879360
Molecular FormulaC30H25O3P
Molecular Weight464.50 g/mol
Exact Mass464.15
IUPAC Namemethyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate
SMILESCOC(=O)C1=P(c2ccccc2)(c2ccccc2)c2ccccc2C(c2cccc(OC)c2)=C1
InChIInChI=1S/C30H25O3P/c1-32-23-13-11-12-22(20-23)27-21-29(30(31)33-2)34(24-14-5-3-6-15-24,25-16-7-4-8-17-25)28-19-10-9-18-26(27)28/h3-21H,1-2H3
InChIKeyCOWPWOHBBIECCM-UHFFFAOYSA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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methyl 3-fluoro-4-(3-methoxyphenyl)benzoate
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CID 135057832
trimethyl (2R,5S)-5-(3-methoxyphenyl)-1-phenyl-2,5-dihydropyrrole-2,3,4-tricarboxylate
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3-benzamido-5-(3-methoxyphenyl)benzoic acid
CID 171782860
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
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CID 175686725
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CID 175169762

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate?
The IUPAC name of methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate (CID 172879360) is methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate?
The canonical SMILES for methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate is COC(=O)C1=P(c2ccccc2)(c2ccccc2)c2ccccc2C(c2cccc(OC)c2)=C1.
What is the InChIKey of methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate?
The InChIKey is COWPWOHBBIECCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25O3P/c1-32-23-13-11-12-22(20-23)27-21-29(30(31)33-2)34(24-14-5-3-6-15-24,25-16-7-4-8-17-25)28-19-10-9-18-26(27)28/h3-21H,1-2H3.
What are the key properties of methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate?
methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate has a molecular weight of 464.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxyphenyl)-1,1-diphenylphosphinoline-2-carboxylate is sourced from PubChem (CID 172879360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).