2-(3-methoxyphenyl)-3,1-benzoxazin-4-one

C15H11NO3 — CID 699931

IUPAC2-(3-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1cccc(-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C15H11NO3/c1-18-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(17)19-14/h2-9H,1H3
InChIKeyDVJLPHFMBUSVQN-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.86
Rot. Bonds2

About 2-(3-methoxyphenyl)-3,1-benzoxazin-4-one

2-(3-methoxyphenyl)-3,1-benzoxazin-4-one (PubChem CID 699931) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3,1-benzoxazin-4-one
PubChem CID699931
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(3-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1cccc(-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C15H11NO3/c1-18-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(17)19-14/h2-9H,1H3
InChIKeyDVJLPHFMBUSVQN-UHFFFAOYSA-N
XLogP2.86
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-3,1-benzoxazin-4-one (CID 699931) is 2-(3-methoxyphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-3,1-benzoxazin-4-one is COc1cccc(-c2nc3ccccc3c(=O)o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3,1-benzoxazin-4-one?
The InChIKey is DVJLPHFMBUSVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-18-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(17)19-14/h2-9H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-3,1-benzoxazin-4-one?
2-(3-methoxyphenyl)-3,1-benzoxazin-4-one has a molecular weight of 253.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 699931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).