6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione

C16H13NO5 — CID 11185633

IUPAC6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione
SMILESCOc1cc2c(=O)oc(=O)[nH]c2cc1OCc1ccccc1
InChIInChI=1S/C16H13NO5/c1-20-13-7-11-12(17-16(19)22-15(11)18)8-14(13)21-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,19)
InChIKeyLSBPSNQQDABGQU-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.07
Rot. Bonds4

About 6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione

6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione (PubChem CID 11185633) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione
PubChem CID11185633
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione
SMILESCOc1cc2c(=O)oc(=O)[nH]c2cc1OCc1ccccc1
InChIInChI=1S/C16H13NO5/c1-20-13-7-11-12(17-16(19)22-15(11)18)8-14(13)21-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,19)
InChIKeyLSBPSNQQDABGQU-UHFFFAOYSA-N
XLogP2.07
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,13-dimethoxy-10-methyl-4,14-bis(phenylmethoxy)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
CID 135025053
2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one
CID 126484702
6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one
CID 141107411
3,4-dimethyl-6,7-bis(phenylmethoxy)chromen-2-one
CID 10810185
7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one
CID 102527760
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799
2-(azidomethyl)-6-methoxy-7-phenylmethoxychromen-4-one
CID 126484713
12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one
CID 134102350
4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one
CID 142720681
6-fluoro-2-methyl-7-phenylmethoxy-1H-quinolin-4-one
CID 22641455
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione (CID 11185633) is 6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione is COc1cc2c(=O)oc(=O)[nH]c2cc1OCc1ccccc1.
What is the InChIKey of 6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is LSBPSNQQDABGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-20-13-7-11-12(17-16(19)22-15(11)18)8-14(13)21-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione?
6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 299.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 11185633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).