3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol

C14H14N4O3 — CID 135736199

IUPAC3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol
SMILESCCOc1cc(O)ccc1-c1nc2nc(OC)ncc2[nH]1
InChIInChI=1S/C14H14N4O3/c1-3-21-11-6-8(19)4-5-9(11)12-16-10-7-15-14(20-2)18-13(10)17-12/h4-7,19H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyBFNSYWRPWCGJNU-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.13
Rot. Bonds4

About 3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol

3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol (PubChem CID 135736199) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol.

Molecular Properties

Compound Name3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol
PubChem CID135736199
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol
SMILESCCOc1cc(O)ccc1-c1nc2nc(OC)ncc2[nH]1
InChIInChI=1S/C14H14N4O3/c1-3-21-11-6-8(19)4-5-9(11)12-16-10-7-15-14(20-2)18-13(10)17-12/h4-7,19H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyBFNSYWRPWCGJNU-UHFFFAOYSA-N
XLogP2.13
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol?
The IUPAC name of 3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol (CID 135736199) is 3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol.
What is the SMILES notation for 3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol?
The canonical SMILES for 3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol is CCOc1cc(O)ccc1-c1nc2nc(OC)ncc2[nH]1.
What is the InChIKey of 3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol?
The InChIKey is BFNSYWRPWCGJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-3-21-11-6-8(19)4-5-9(11)12-16-10-7-15-14(20-2)18-13(10)17-12/h4-7,19H,3H2,1-2H3,(H,15,16,17,18).
What are the key properties of 3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol?
3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol has a molecular weight of 286.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol is sourced from PubChem (CID 135736199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).