[4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate

C24H25O6P — CID 21410696

IUPAC[4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate
SMILESCCCCC(C(=O)c1ccc(OP(=O)(O)Oc2ccccc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H25O6P/c1-2-3-9-23(18-10-14-20(25)15-11-18)24(26)19-12-16-22(17-13-19)30-31(27,28)29-21-7-5-4-6-8-21/h4-8,10-17,23,25H,2-3,9H2,1H3,(H,27,28)
InChIKeyPWROOIQWXQGKLZ-UHFFFAOYSA-N
MW440.43 g/mol
LogP6.11
Rot. Bonds10

About [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate

[4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate (PubChem CID 21410696) has the molecular formula C24H25O6P and a molecular weight of 440.43 g/mol. Its IUPAC name is [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate.

Molecular Properties

Compound Name[4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate
PubChem CID21410696
Molecular FormulaC24H25O6P
Molecular Weight440.43 g/mol
Exact Mass440.14
IUPAC Name[4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate
SMILESCCCCC(C(=O)c1ccc(OP(=O)(O)Oc2ccccc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H25O6P/c1-2-3-9-23(18-10-14-20(25)15-11-18)24(26)19-12-16-22(17-13-19)30-31(27,28)29-21-7-5-4-6-8-21/h4-8,10-17,23,25H,2-3,9H2,1H3,(H,27,28)
InChIKeyPWROOIQWXQGKLZ-UHFFFAOYSA-N
XLogP6.11
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl phosphate
CID 23708446
bis[4-[butoxy(phenyl)methyl]phenyl] hydrogen phosphate
CID 21401943
4-chloro-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 123704596
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916
[4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] dihydrogen phosphate
CID 22234939
2-(4-methylphenyl)-1-phenylpentan-1-one
CID 134967757
diphenyl hydrogen phosphate;hept-2-ene
CID 160671397
1-(4-hexylphenyl)hexyl phenyl hydrogen phosphate
CID 90869742
3-(2-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954503
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;dihydrate
CID 21115845

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate?
The IUPAC name of [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate (CID 21410696) is [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate.
What is the SMILES notation for [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate?
The canonical SMILES for [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate is CCCCC(C(=O)c1ccc(OP(=O)(O)Oc2ccccc2)cc1)c1ccc(O)cc1.
What is the InChIKey of [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate?
The InChIKey is PWROOIQWXQGKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O6P/c1-2-3-9-23(18-10-14-20(25)15-11-18)24(26)19-12-16-22(17-13-19)30-31(27,28)29-21-7-5-4-6-8-21/h4-8,10-17,23,25H,2-3,9H2,1H3,(H,27,28).
What are the key properties of [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate?
[4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate has a molecular weight of 440.43 g/mol, XLogP of 6.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl hydrogen phosphate is sourced from PubChem (CID 21410696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).