[(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate

C23H23NO5 — CID 14333124

IUPAC[(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate
SMILESCOc1ccc(C(OC(C)=O)c2cc(OCc3ccccc3)ccc2OC)nc1
InChIInChI=1S/C23H23NO5/c1-16(25)29-23(21-11-9-19(26-2)14-24-21)20-13-18(10-12-22(20)27-3)28-15-17-7-5-4-6-8-17/h4-14,23H,15H2,1-3H3
InChIKeyHSARYNIDUYFBHS-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.33
Rot. Bonds8

About [(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate

[(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate (PubChem CID 14333124) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is [(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate.

Molecular Properties

Compound Name[(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate
PubChem CID14333124
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name[(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate
SMILESCOc1ccc(C(OC(C)=O)c2cc(OCc3ccccc3)ccc2OC)nc1
InChIInChI=1S/C23H23NO5/c1-16(25)29-23(21-11-9-19(26-2)14-24-21)20-13-18(10-12-22(20)27-3)28-15-17-7-5-4-6-8-17/h4-14,23H,15H2,1-3H3
InChIKeyHSARYNIDUYFBHS-UHFFFAOYSA-N
XLogP4.33
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate?
The IUPAC name of [(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate (CID 14333124) is [(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate.
What is the SMILES notation for [(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate?
The canonical SMILES for [(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate is COc1ccc(C(OC(C)=O)c2cc(OCc3ccccc3)ccc2OC)nc1.
What is the InChIKey of [(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate?
The InChIKey is HSARYNIDUYFBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-16(25)29-23(21-11-9-19(26-2)14-24-21)20-13-18(10-12-22(20)27-3)28-15-17-7-5-4-6-8-17/h4-14,23H,15H2,1-3H3.
What are the key properties of [(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate?
[(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate has a molecular weight of 393.44 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxy-5-phenylmethoxyphenyl)-(5-methoxy-2-pyridinyl)methyl] acetate is sourced from PubChem (CID 14333124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).