(2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate

C17H21O5P — CID 21468984

IUPAC(2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate
SMILESCCc1c(OCc2ccccc2)ccc(OP(=O)(O)O)c1CC
InChIInChI=1S/C17H21O5P/c1-3-14-15(4-2)17(22-23(18,19)20)11-10-16(14)21-12-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3,(H2,18,19,20)
InChIKeyBAZLRISOINENJC-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.86
Rot. Bonds7

About (2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate

(2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate (PubChem CID 21468984) has the molecular formula C17H21O5P and a molecular weight of 336.32 g/mol. Its IUPAC name is (2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate
PubChem CID21468984
Molecular FormulaC17H21O5P
Molecular Weight336.32 g/mol
Exact Mass336.11
IUPAC Name(2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate
SMILESCCc1c(OCc2ccccc2)ccc(OP(=O)(O)O)c1CC
InChIInChI=1S/C17H21O5P/c1-3-14-15(4-2)17(22-23(18,19)20)11-10-16(14)21-12-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3,(H2,18,19,20)
InChIKeyBAZLRISOINENJC-UHFFFAOYSA-N
XLogP3.86
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,3-diethyl-4-phenylmethoxyphenyl) 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

3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
CID 67182822
(4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate
CID 139623826
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
(2-ethyl-3-phosphonooxyphenyl) 2-methylprop-2-enoate
CID 151945597
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
[2,3-di(nonyl)-4-phenylphenyl] dihydrogen phosphate
CID 22481171
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
CID 90979990
3-methylsulfinyl-4-phenylmethoxyphenol
CID 22574460

Frequently Asked Questions

What is the IUPAC name of (2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate?
The IUPAC name of (2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate (CID 21468984) is (2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate.
What is the SMILES notation for (2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate?
The canonical SMILES for (2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate is CCc1c(OCc2ccccc2)ccc(OP(=O)(O)O)c1CC.
What is the InChIKey of (2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate?
The InChIKey is BAZLRISOINENJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O5P/c1-3-14-15(4-2)17(22-23(18,19)20)11-10-16(14)21-12-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3,(H2,18,19,20).
What are the key properties of (2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate?
(2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate has a molecular weight of 336.32 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate is sourced from PubChem (CID 21468984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).