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

C11H17O4P — CID 154150243

IUPAC(2,3-diethyl-4-methylphenyl) dihydrogen phosphate
SMILESCCc1c(C)ccc(OP(=O)(O)O)c1CC
InChIInChI=1S/C11H17O4P/c1-4-9-8(3)6-7-11(10(9)5-2)15-16(12,13)14/h6-7H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyRCTQKIFBNPVDKV-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.59
Rot. Bonds4

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

(2,3-diethyl-4-methylphenyl) dihydrogen phosphate (PubChem CID 154150243) has the molecular formula C11H17O4P and a molecular weight of 244.23 g/mol. Its IUPAC name is (2,3-diethyl-4-methylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,3-diethyl-4-methylphenyl) dihydrogen phosphate
PubChem CID154150243
Molecular FormulaC11H17O4P
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Name(2,3-diethyl-4-methylphenyl) dihydrogen phosphate
SMILESCCc1c(C)ccc(OP(=O)(O)O)c1CC
InChIInChI=1S/C11H17O4P/c1-4-9-8(3)6-7-11(10(9)5-2)15-16(12,13)14/h6-7H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyRCTQKIFBNPVDKV-UHFFFAOYSA-N
XLogP2.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.59
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

(2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate
CID 21468984
[2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphate
CID 66887191
tris(2,3-diethyl-4-methoxyphenyl) phosphate
CID 177312827
(3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate
CID 141453067
(2-ethyl-3-phosphonooxyphenyl) 2-methylprop-2-enoate
CID 151945597
(2,6-dibutyl-3-methylphenyl) dihydrogen phosphate
CID 151482301
(4-phenyl-2,3-dipropylphenyl) dihydrogen phosphate
CID 139623826
[2,3-di(nonyl)-4-phenylphenyl] dihydrogen phosphate
CID 22481171
(3-ethyl-2-hydroxy-4-methylphenyl) hydrogen carbonate
CID 69349284
(2,4-dibutylphenyl) dihydrogen phosphate
CID 20569368
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
(2-but-1-enylphenyl) dihydrogen phosphate
CID 66677779

Frequently Asked Questions

What is the IUPAC name of (2,3-diethyl-4-methylphenyl) dihydrogen phosphate?
The IUPAC name of (2,3-diethyl-4-methylphenyl) dihydrogen phosphate (CID 154150243) is (2,3-diethyl-4-methylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2,3-diethyl-4-methylphenyl) dihydrogen phosphate?
The canonical SMILES for (2,3-diethyl-4-methylphenyl) dihydrogen phosphate is CCc1c(C)ccc(OP(=O)(O)O)c1CC.
What is the InChIKey of (2,3-diethyl-4-methylphenyl) dihydrogen phosphate?
The InChIKey is RCTQKIFBNPVDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O4P/c1-4-9-8(3)6-7-11(10(9)5-2)15-16(12,13)14/h6-7H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of (2,3-diethyl-4-methylphenyl) dihydrogen phosphate?
(2,3-diethyl-4-methylphenyl) dihydrogen phosphate has a molecular weight of 244.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethyl-4-methylphenyl) dihydrogen phosphate is sourced from PubChem (CID 154150243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).