[4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate

C18H21O4P — CID 16734689

IUPAC[4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc(C2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C18H21O4P/c19-23(20,21)22-17-11-9-16(10-12-17)18(13-5-2-6-14-18)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2,(H2,19,20,21)
InChIKeyQWHHHUIQISCLEC-UHFFFAOYSA-N
MW332.34 g/mol
LogP4.41
Rot. Bonds4

About [4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate

[4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate (PubChem CID 16734689) has the molecular formula C18H21O4P and a molecular weight of 332.34 g/mol. Its IUPAC name is [4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate
PubChem CID16734689
Molecular FormulaC18H21O4P
Molecular Weight332.34 g/mol
Exact Mass332.12
IUPAC Name[4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc(C2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C18H21O4P/c19-23(20,21)22-17-11-9-16(10-12-17)18(13-5-2-6-14-18)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2,(H2,19,20,21)
InChIKeyQWHHHUIQISCLEC-UHFFFAOYSA-N
XLogP4.41
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate?
The IUPAC name of [4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate (CID 16734689) is [4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate.
What is the SMILES notation for [4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate?
The canonical SMILES for [4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate is O=P(O)(O)Oc1ccc(C2(c3ccccc3)CCCCC2)cc1.
What is the InChIKey of [4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate?
The InChIKey is QWHHHUIQISCLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O4P/c19-23(20,21)22-17-11-9-16(10-12-17)18(13-5-2-6-14-18)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2,(H2,19,20,21).
What are the key properties of [4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate?
[4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate has a molecular weight of 332.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate is sourced from PubChem (CID 16734689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).