6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione

C20H21NO6 — CID 23153867

IUPAC6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)oc(=O)c3cc(OC)c(OC(C)C)cc32)cc1
InChIInChI=1S/C20H21NO6/c1-12(2)26-18-10-16-15(9-17(18)25-4)19(22)27-20(23)21(16)11-13-5-7-14(24-3)8-6-13/h5-10,12H,11H2,1-4H3
InChIKeyUNCPGKHJYGLFLM-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.81
Rot. Bonds6

About 6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione

6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione (PubChem CID 23153867) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione
PubChem CID23153867
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)oc(=O)c3cc(OC)c(OC(C)C)cc32)cc1
InChIInChI=1S/C20H21NO6/c1-12(2)26-18-10-16-15(9-17(18)25-4)19(22)27-20(23)21(16)11-13-5-7-14(24-3)8-6-13/h5-10,12H,11H2,1-4H3
InChIKeyUNCPGKHJYGLFLM-UHFFFAOYSA-N
XLogP2.81
TPSA79.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione (CID 23153867) is 6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione is COc1ccc(Cn2c(=O)oc(=O)c3cc(OC)c(OC(C)C)cc32)cc1.
What is the InChIKey of 6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione?
The InChIKey is UNCPGKHJYGLFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-12(2)26-18-10-16-15(9-17(18)25-4)19(22)27-20(23)21(16)11-13-5-7-14(24-3)8-6-13/h5-10,12H,11H2,1-4H3.
What are the key properties of 6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione?
6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione has a molecular weight of 371.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 23153867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).