phenylmethoxymethylbenzene;phosphoric acid

C14H17O5P — CID 141118417

IUPACphenylmethoxymethylbenzene;phosphoric acid
SMILESO=P(O)(O)O.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.H3O4P/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-5(2,3)4/h1-10H,11-12H2;(H3,1,2,3,4)
InChIKeySXWHCIOOMQMTAV-UHFFFAOYSA-N
MW296.26 g/mol
LogP2.47
Rot. Bonds4

About phenylmethoxymethylbenzene;phosphoric acid

phenylmethoxymethylbenzene;phosphoric acid (PubChem CID 141118417) has the molecular formula C14H17O5P and a molecular weight of 296.26 g/mol. Its IUPAC name is phenylmethoxymethylbenzene;phosphoric acid.

Molecular Properties

Compound Namephenylmethoxymethylbenzene;phosphoric acid
PubChem CID141118417
Molecular FormulaC14H17O5P
Molecular Weight296.26 g/mol
Exact Mass296.08
IUPAC Namephenylmethoxymethylbenzene;phosphoric acid
SMILESO=P(O)(O)O.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.H3O4P/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-5(2,3)4/h1-10H,11-12H2;(H3,1,2,3,4)
InChIKeySXWHCIOOMQMTAV-UHFFFAOYSA-N
XLogP2.47
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 66734377
CID 66734377
acetic acid;phenylmethoxymethylbenzene
CID 175214238
ethane;phenylmethoxymethylbenzene
CID 90943549
dibenzyl hydrogen phosphate;silver
CID 85301331
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
benzylbenzene;phosphoric acid
CID 161249494
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
disodium;phenylmethoxymethylbenzene;sulfate
CID 70513406
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
butane;phenol;phenylmethoxymethylbenzene
CID 174556357

Frequently Asked Questions

What is the IUPAC name of phenylmethoxymethylbenzene;phosphoric acid?
The IUPAC name of phenylmethoxymethylbenzene;phosphoric acid (CID 141118417) is phenylmethoxymethylbenzene;phosphoric acid.
What is the SMILES notation for phenylmethoxymethylbenzene;phosphoric acid?
The canonical SMILES for phenylmethoxymethylbenzene;phosphoric acid is O=P(O)(O)O.c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of phenylmethoxymethylbenzene;phosphoric acid?
The InChIKey is SXWHCIOOMQMTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.H3O4P/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-5(2,3)4/h1-10H,11-12H2;(H3,1,2,3,4).
What are the key properties of phenylmethoxymethylbenzene;phosphoric acid?
phenylmethoxymethylbenzene;phosphoric acid has a molecular weight of 296.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxymethylbenzene;phosphoric acid is sourced from PubChem (CID 141118417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).