(3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate

C16H19O4P — CID 174775816

IUPAC(3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate
SMILESCCc1ccc(OP(=O)(O)Oc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C16H19O4P/c1-4-14-5-7-15(8-6-14)19-21(17,18)20-16-10-12(2)9-13(3)11-16/h5-11H,4H2,1-3H3,(H,17,18)
InChIKeyHGVANZWPWQSIBX-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.42
Rot. Bonds5

About (3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate

(3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate (PubChem CID 174775816) has the molecular formula C16H19O4P and a molecular weight of 306.30 g/mol. Its IUPAC name is (3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate.

Molecular Properties

Compound Name(3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate
PubChem CID174775816
Molecular FormulaC16H19O4P
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Name(3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate
SMILESCCc1ccc(OP(=O)(O)Oc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C16H19O4P/c1-4-14-5-7-15(8-6-14)19-21(17,18)20-16-10-12(2)9-13(3)11-16/h5-11H,4H2,1-3H3,(H,17,18)
InChIKeyHGVANZWPWQSIBX-UHFFFAOYSA-N
XLogP4.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylphenyl) [4-[3-(2,4,6-trimethoxyphenyl)propyl]phenyl] hydrogen phosphate
CID 21401919
1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene
CID 71670381
[4-[4-[4-[(3,5-dimethylphenoxy)-hydroxyphosphoryl]oxyphenyl]butanoyl]-3-propanoyloxyphenyl] propanoate
CID 21410738
bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone
CID 87156122
1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene
CID 170963415
azane;bis(3-methylphenyl) hydrogen phosphate
CID 2843505
(3,5-dimethylphenyl) naphthalen-2-yl (4-propylphenyl) phosphate
CID 139980250
4-(3,5-dimethylphenoxy)-6-(4-ethylphenoxy)-5-nitropyrimidine
CID 23479317
3-[hydroxy-(4-methylphenoxy)phosphoryl]oxypropanoic acid
CID 175308769
4-[hydroxy-(4-methylphenoxy)phosphoryl]oxybenzoic acid
CID 71331221
[4-[2-[4-[hydroxy-(4-methylphenoxy)phosphoryl]oxyphenyl]propan-2-yl]phenyl] (4-methylphenyl) hydrogen phosphate
CID 23106977
(4-methylphenyl) [4-(3-oxo-3-phenylpropyl)phenyl] hydrogen phosphate
CID 21410631

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate?
The IUPAC name of (3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate (CID 174775816) is (3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate.
What is the SMILES notation for (3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate?
The canonical SMILES for (3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate is CCc1ccc(OP(=O)(O)Oc2cc(C)cc(C)c2)cc1.
What is the InChIKey of (3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate?
The InChIKey is HGVANZWPWQSIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O4P/c1-4-14-5-7-15(8-6-14)19-21(17,18)20-16-10-12(2)9-13(3)11-16/h5-11H,4H2,1-3H3,(H,17,18).
What are the key properties of (3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate?
(3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate has a molecular weight of 306.30 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate is sourced from PubChem (CID 174775816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).