6,6-diphenylhexyl dihydrogen phosphate

C18H23O4P — CID 139923067

IUPAC6,6-diphenylhexyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O4P/c19-23(20,21)22-15-9-3-8-14-18(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H2,19,20,21)
InChIKeyNOVRNQABPJMEKS-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.49
Rot. Bonds9

About 6,6-diphenylhexyl dihydrogen phosphate

6,6-diphenylhexyl dihydrogen phosphate (PubChem CID 139923067) has the molecular formula C18H23O4P and a molecular weight of 334.35 g/mol. Its IUPAC name is 6,6-diphenylhexyl dihydrogen phosphate.

Molecular Properties

Compound Name6,6-diphenylhexyl dihydrogen phosphate
PubChem CID139923067
Molecular FormulaC18H23O4P
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name6,6-diphenylhexyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23O4P/c19-23(20,21)22-15-9-3-8-14-18(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H2,19,20,21)
InChIKeyNOVRNQABPJMEKS-UHFFFAOYSA-N
XLogP4.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.49
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

9,9-bis(4-propan-2-ylphenyl)nonyl dihydrogen phosphate
CID 162514655
4,4-diphenylbutoxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 54339531
12-phenyldodecyl dihydrogen phosphate
CID 70388670
12,12-diphenyldodecyl(trihydroxy)phosphanium
CID 66694525
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
19,19-diphenylnonadecyl dihydrogen phosphite
CID 19792274
7-phosphonooxyheptyl benzoate
CID 139925266
(3-phenyl-5-sulfanylpentyl) dihydrogen phosphate
CID 173475510
benzyl 6-phosphonooxyhexanoate
CID 156534469
1-phenyldodecoxy dihydrogen phosphate
CID 170335090
1,1-diphenyldecan-3-yl dihydrogen phosphate
CID 141070435

Frequently Asked Questions

What is the IUPAC name of 6,6-diphenylhexyl dihydrogen phosphate?
The IUPAC name of 6,6-diphenylhexyl dihydrogen phosphate (CID 139923067) is 6,6-diphenylhexyl dihydrogen phosphate.
What is the SMILES notation for 6,6-diphenylhexyl dihydrogen phosphate?
The canonical SMILES for 6,6-diphenylhexyl dihydrogen phosphate is O=P(O)(O)OCCCCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 6,6-diphenylhexyl dihydrogen phosphate?
The InChIKey is NOVRNQABPJMEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O4P/c19-23(20,21)22-15-9-3-8-14-18(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H2,19,20,21).
What are the key properties of 6,6-diphenylhexyl dihydrogen phosphate?
6,6-diphenylhexyl dihydrogen phosphate has a molecular weight of 334.35 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diphenylhexyl dihydrogen phosphate is sourced from PubChem (CID 139923067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).