(3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate

C15H25O4P — CID 141453067

IUPAC(3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate
SMILESCCCc1c(OP(=O)(O)O)cc(CC)c(CC)c1CC
InChIInChI=1S/C15H25O4P/c1-5-9-14-13(8-4)12(7-3)11(6-2)10-15(14)19-20(16,17)18/h10H,5-9H2,1-4H3,(H2,16,17,18)
InChIKeyNMNTVTLWNVFFIP-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.80
Rot. Bonds7

About (3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate

(3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate (PubChem CID 141453067) has the molecular formula C15H25O4P and a molecular weight of 300.33 g/mol. Its IUPAC name is (3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate
PubChem CID141453067
Molecular FormulaC15H25O4P
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC Name(3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate
SMILESCCCc1c(OP(=O)(O)O)cc(CC)c(CC)c1CC
InChIInChI=1S/C15H25O4P/c1-5-9-14-13(8-4)12(7-3)11(6-2)10-15(14)19-20(16,17)18/h10H,5-9H2,1-4H3,(H2,16,17,18)
InChIKeyNMNTVTLWNVFFIP-UHFFFAOYSA-N
XLogP3.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-diethyl-4-methylphenyl) dihydrogen phosphate
CID 154150243
(4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate
CID 139623826
(2,3,4-triethyl-5-propylphenyl) hydrogen carbonate
CID 87299833
(2,4-dibutylphenyl) dihydrogen phosphate
CID 20569368
(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761
(2,6-dibutyl-3-methylphenyl) dihydrogen phosphate
CID 151482301
(3-propylphenyl) dihydrogen phosphate
CID 139845836
(2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate
CID 21468984
(5-butyl-3,4-diethyl-2-hydroxyphenyl) hydrogen carbonate
CID 87876141
sodium;hydride;(2-octylphenyl) dihydrogen phosphate
CID 173327470
(2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate
CID 122506436

Frequently Asked Questions

What is the IUPAC name of (3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate?
The IUPAC name of (3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate (CID 141453067) is (3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate.
What is the SMILES notation for (3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate?
The canonical SMILES for (3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate is CCCc1c(OP(=O)(O)O)cc(CC)c(CC)c1CC.
What is the InChIKey of (3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate?
The InChIKey is NMNTVTLWNVFFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O4P/c1-5-9-14-13(8-4)12(7-3)11(6-2)10-15(14)19-20(16,17)18/h10H,5-9H2,1-4H3,(H2,16,17,18).
What are the key properties of (3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate?
(3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate has a molecular weight of 300.33 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate is sourced from PubChem (CID 141453067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).