methyl(diphenyl)phosphane;terephthalic acid

C21H19O4P — CID 175491126

IUPACmethyl(diphenyl)phosphane;terephthalic acid
SMILESCP(c1ccccc1)c1ccccc1.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H13P.C8H6O4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;9-7(10)5-1-2-6(4-3-5)8(11)12/h2-11H,1H3;1-4H,(H,9,10)(H,11,12)
InChIKeyCRKIYXPYJKGUAV-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.83
Rot. Bonds4

About methyl(diphenyl)phosphane;terephthalic acid

methyl(diphenyl)phosphane;terephthalic acid (PubChem CID 175491126) has the molecular formula C21H19O4P and a molecular weight of 366.35 g/mol. Its IUPAC name is methyl(diphenyl)phosphane;terephthalic acid.

Molecular Properties

Compound Namemethyl(diphenyl)phosphane;terephthalic acid
PubChem CID175491126
Molecular FormulaC21H19O4P
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Namemethyl(diphenyl)phosphane;terephthalic acid
SMILESCP(c1ccccc1)c1ccccc1.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H13P.C8H6O4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;9-7(10)5-1-2-6(4-3-5)8(11)12/h2-11H,1H3;1-4H,(H,9,10)(H,11,12)
InChIKeyCRKIYXPYJKGUAV-UHFFFAOYSA-N
XLogP3.83
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

borane;methyl(diphenyl)phosphane
CID 13485169
methyl(diphenyl)phosphane;palladium(2+);dichloride
CID 175235701
benzoic acid;methanol
CID 67901482
carbanide;gold(1+);methyl(diphenyl)phosphane
CID 87994939
terephthalic acid
CID 160582437
benzoic acid;methanamine
CID 158244769
Lithium benzoate, 99%
CID 57451198
benzoic acid;chromium
CID 139063467
benzoic acid;trihydrate
CID 157398339
CID 87090637
CID 87090637
CID 87293530
CID 87293530
cyclodecapentaenecarboxylic acid;methane
CID 162272407

Frequently Asked Questions

What is the IUPAC name of methyl(diphenyl)phosphane;terephthalic acid?
The IUPAC name of methyl(diphenyl)phosphane;terephthalic acid (CID 175491126) is methyl(diphenyl)phosphane;terephthalic acid.
What is the SMILES notation for methyl(diphenyl)phosphane;terephthalic acid?
The canonical SMILES for methyl(diphenyl)phosphane;terephthalic acid is CP(c1ccccc1)c1ccccc1.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of methyl(diphenyl)phosphane;terephthalic acid?
The InChIKey is CRKIYXPYJKGUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13P.C8H6O4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;9-7(10)5-1-2-6(4-3-5)8(11)12/h2-11H,1H3;1-4H,(H,9,10)(H,11,12).
What are the key properties of methyl(diphenyl)phosphane;terephthalic acid?
methyl(diphenyl)phosphane;terephthalic acid has a molecular weight of 366.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(diphenyl)phosphane;terephthalic acid is sourced from PubChem (CID 175491126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).