[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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Related Compounds

1,1-diphenylcyclotetradecane
CID 175822005
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
CID 131875092
CID 131875092
dibenzyl [4-(1-phenylcyclohexyl)phenyl] phosphate;[4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate;[4-(1-phenylcyclohexyl)phenyl] 2,2-dimethylpropanoate;[4-(1-phenylcyclohexyl)phenyl] N,N-dimethylsulfamate
CID 159452585
1-bromo-4-(1-phenylcyclohexyl)benzene
CID 163634651
(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
dibenzyl [3-(1-phenylcyclohexyl)phenyl] phosphate
CID 16734779
(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212
[4-[1-(4-phosphonooxyphenyl)-3H-2-benzofuran-1-yl]phenyl] dihydrogen phosphate
CID 170845243
copper;1-phenylcyclohexan-1-ol
CID 174727157
1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one
CID 138403046

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).