12-phenyldodecyl dihydrogen phosphate

C18H31O4P — CID 70388670

IUPAC12-phenyldodecyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C18H31O4P/c19-23(20,21)22-17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,1-8,10,13-14,17H2,(H2,19,20,21)
InChIKeyVHNVDEBCUYODBJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP5.24
Rot. Bonds14

About 12-phenyldodecyl dihydrogen phosphate

12-phenyldodecyl dihydrogen phosphate (PubChem CID 70388670) has the molecular formula C18H31O4P and a molecular weight of 342.42 g/mol. Its IUPAC name is 12-phenyldodecyl dihydrogen phosphate.

Molecular Properties

Compound Name12-phenyldodecyl dihydrogen phosphate
PubChem CID70388670
Molecular FormulaC18H31O4P
Molecular Weight342.42 g/mol
Exact Mass342.20
IUPAC Name12-phenyldodecyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C18H31O4P/c19-23(20,21)22-17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,1-8,10,13-14,17H2,(H2,19,20,21)
InChIKeyVHNVDEBCUYODBJ-UHFFFAOYSA-N
XLogP5.24
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 55.24
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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Related Compounds

benzyl 6-phosphonooxyhexanoate
CID 156534469
8-phenyloctyl carbamate
CID 67180735
6,6-diphenylhexyl dihydrogen phosphate
CID 139923067
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
7-methoxyheptylbenzene
CID 54276867
7-phosphonooxyheptyl benzoate
CID 139925266
8-(8-phenyloctoxy)octylbenzene
CID 56628536
dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane
CID 150954561
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
disodium;18-phenyloctadecoxy phosphate
CID 175401662
3-aminopropyl dibenzyl phosphate;3-aminopropyl dihydrogen phosphate
CID 159834846

Frequently Asked Questions

What is the IUPAC name of 12-phenyldodecyl dihydrogen phosphate?
The IUPAC name of 12-phenyldodecyl dihydrogen phosphate (CID 70388670) is 12-phenyldodecyl dihydrogen phosphate.
What is the SMILES notation for 12-phenyldodecyl dihydrogen phosphate?
The canonical SMILES for 12-phenyldodecyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of 12-phenyldodecyl dihydrogen phosphate?
The InChIKey is VHNVDEBCUYODBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31O4P/c19-23(20,21)22-17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,1-8,10,13-14,17H2,(H2,19,20,21).
What are the key properties of 12-phenyldodecyl dihydrogen phosphate?
12-phenyldodecyl dihydrogen phosphate has a molecular weight of 342.42 g/mol, XLogP of 5.24, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyldodecyl dihydrogen phosphate is sourced from PubChem (CID 70388670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).