phenylmethoxymethylbenzene;7H-purine

C19H18N4O — CID 71212113

IUPACphenylmethoxymethylbenzene;7H-purine
SMILESc1ccc(COCc2ccccc2)cc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C14H14O.C5H4N4/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-4-5(8-2-6-1)9-3-7-4/h1-10H,11-12H2;1-3H,(H,6,7,8,9)
InChIKeyXIYQASSDCLSASL-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.76
Rot. Bonds4

About phenylmethoxymethylbenzene;7H-purine

phenylmethoxymethylbenzene;7H-purine (PubChem CID 71212113) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is phenylmethoxymethylbenzene;7H-purine.

Molecular Properties

Compound Namephenylmethoxymethylbenzene;7H-purine
PubChem CID71212113
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Namephenylmethoxymethylbenzene;7H-purine
SMILESc1ccc(COCc2ccccc2)cc1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C14H14O.C5H4N4/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-4-5(8-2-6-1)9-3-7-4/h1-10H,11-12H2;1-3H,(H,6,7,8,9)
InChIKeyXIYQASSDCLSASL-UHFFFAOYSA-N
XLogP3.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-benzyl-7H-purin-6-amine;7H-purine
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7H-purine;pyridazine
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7H-purine;1H-pyridin-2-one
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2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine
CID 159888694
piperazine;7H-purine;pyridazine
CID 174875966
CID 66734377
CID 66734377
7H-purine;thieno[2,3-b]pyridine
CID 144552506
2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride
CID 174898105
ethane;phenylmethoxymethylbenzene
CID 90943549
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);phosphoric acid;7H-purine
CID 159643932

Frequently Asked Questions

What is the IUPAC name of phenylmethoxymethylbenzene;7H-purine?
The IUPAC name of phenylmethoxymethylbenzene;7H-purine (CID 71212113) is phenylmethoxymethylbenzene;7H-purine.
What is the SMILES notation for phenylmethoxymethylbenzene;7H-purine?
The canonical SMILES for phenylmethoxymethylbenzene;7H-purine is c1ccc(COCc2ccccc2)cc1.c1ncc2[nH]cnc2n1.
What is the InChIKey of phenylmethoxymethylbenzene;7H-purine?
The InChIKey is XIYQASSDCLSASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C5H4N4/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-4-5(8-2-6-1)9-3-7-4/h1-10H,11-12H2;1-3H,(H,6,7,8,9).
What are the key properties of phenylmethoxymethylbenzene;7H-purine?
phenylmethoxymethylbenzene;7H-purine has a molecular weight of 318.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxymethylbenzene;7H-purine is sourced from PubChem (CID 71212113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).