5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid

C23H31O3P — CID 158520026

IUPAC5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid
SMILESCCCc1ccc(C=CCCCP(=O)(O)c2ccccc2O)c(CCC)c1
InChIInChI=1S/C23H31O3P/c1-3-10-19-15-16-20(21(18-19)11-4-2)12-6-5-9-17-27(25,26)23-14-8-7-13-22(23)24/h6-8,12-16,18,24H,3-5,9-11,17H2,1-2H3,(H,25,26)
InChIKeyBDGCWEHKVDGVMQ-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.69
Rot. Bonds10

About 5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid

5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid (PubChem CID 158520026) has the molecular formula C23H31O3P and a molecular weight of 386.47 g/mol. Its IUPAC name is 5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid.

Molecular Properties

Compound Name5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid
PubChem CID158520026
Molecular FormulaC23H31O3P
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid
SMILESCCCc1ccc(C=CCCCP(=O)(O)c2ccccc2O)c(CCC)c1
InChIInChI=1S/C23H31O3P/c1-3-10-19-15-16-20(21(18-19)11-4-2)12-6-5-9-17-27(25,26)23-14-8-7-13-22(23)24/h6-8,12-16,18,24H,3-5,9-11,17H2,1-2H3,(H,25,26)
InChIKeyBDGCWEHKVDGVMQ-UHFFFAOYSA-N
XLogP5.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid?
The IUPAC name of 5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid (CID 158520026) is 5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid.
What is the SMILES notation for 5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid?
The canonical SMILES for 5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid is CCCc1ccc(C=CCCCP(=O)(O)c2ccccc2O)c(CCC)c1.
What is the InChIKey of 5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid?
The InChIKey is BDGCWEHKVDGVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31O3P/c1-3-10-19-15-16-20(21(18-19)11-4-2)12-6-5-9-17-27(25,26)23-14-8-7-13-22(23)24/h6-8,12-16,18,24H,3-5,9-11,17H2,1-2H3,(H,25,26).
What are the key properties of 5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid?
5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid has a molecular weight of 386.47 g/mol, XLogP of 5.69, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dipropylphenyl)pent-4-enyl-(2-hydroxyphenyl)phosphinic acid is sourced from PubChem (CID 158520026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).