(tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate

C23H41O3P — CID 66763828

IUPAC(tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate
SMILESCCCCP(CCCC)(CCCC)(CCCC)OC(=O)c1ccccc1O
InChIInChI=1S/C23H41O3P/c1-5-9-17-27(18-10-6-2,19-11-7-3,20-12-8-4)26-23(25)21-15-13-14-16-22(21)24/h13-16,24H,5-12,17-20H2,1-4H3
InChIKeyMKFUAATYSIPMMN-UHFFFAOYSA-N
MW396.55 g/mol
LogP7.22
Rot. Bonds14

About (tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate

(tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate (PubChem CID 66763828) has the molecular formula C23H41O3P and a molecular weight of 396.55 g/mol. Its IUPAC name is (tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate
PubChem CID66763828
Molecular FormulaC23H41O3P
Molecular Weight396.55 g/mol
Exact Mass396.28
IUPAC Name(tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate
SMILESCCCCP(CCCC)(CCCC)(CCCC)OC(=O)c1ccccc1O
InChIInChI=1S/C23H41O3P/c1-5-9-17-27(18-10-6-2,19-11-7-3,20-12-8-4)26-23(25)21-15-13-14-16-22(21)24/h13-16,24H,5-12,17-20H2,1-4H3
InChIKeyMKFUAATYSIPMMN-UHFFFAOYSA-N
XLogP7.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.55
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[tributyl(octyl)-λ5-phosphanyl] 2-hydroxybenzoate
CID 141437338
4,6-bis[(tetrabutyl-λ5-phosphanyl)oxycarbonyl]benzene-1,3-dicarboxylic acid
CID 155760375
benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
icosyl 2-hydroxybenzoate
CID 19044963
hexyl 2-hydroxybenzoate
CID 22629
hexacosyl 2-hydroxybenzoate
CID 19044965
butyl 2-hydroxybenzoate;carbonic acid
CID 146405927
magnesium;butyl 2-hydroxybenzoate;chromium;hydride
CID 174457991
1-phenylpropyl 2-hydroxybenzoate
CID 101286985
calcium;hydride;tetradecyl 2-hydroxybenzoate
CID 174852965
sodium;hydride;octadecyl 2-hydroxybenzoate
CID 174913846
(2-butoxycarbonylphenyl) 2-hydroxybenzoate
CID 59687397

Frequently Asked Questions

What is the IUPAC name of (tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate?
The IUPAC name of (tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate (CID 66763828) is (tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate.
What is the SMILES notation for (tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate?
The canonical SMILES for (tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate is CCCCP(CCCC)(CCCC)(CCCC)OC(=O)c1ccccc1O.
What is the InChIKey of (tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate?
The InChIKey is MKFUAATYSIPMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41O3P/c1-5-9-17-27(18-10-6-2,19-11-7-3,20-12-8-4)26-23(25)21-15-13-14-16-22(21)24/h13-16,24H,5-12,17-20H2,1-4H3.
What are the key properties of (tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate?
(tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate has a molecular weight of 396.55 g/mol, XLogP of 7.22, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (tetrabutyl-λ5-phosphanyl) 2-hydroxybenzoate is sourced from PubChem (CID 66763828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).