2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one

C19H15NO3 — CID 11779851

IUPAC2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one
SMILESCOc1ccc2c(c1)CCC=C2c1nc2ccccc2c(=O)o1
InChIInChI=1S/C19H15NO3/c1-22-13-9-10-14-12(11-13)5-4-7-15(14)18-20-17-8-3-2-6-16(17)19(21)23-18/h2-3,6-11H,4-5H2,1H3
InChIKeyNMZHFUYEMRFDQC-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.57
Rot. Bonds2

About 2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one

2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one (PubChem CID 11779851) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one
PubChem CID11779851
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one
SMILESCOc1ccc2c(c1)CCC=C2c1nc2ccccc2c(=O)o1
InChIInChI=1S/C19H15NO3/c1-22-13-9-10-14-12(11-13)5-4-7-15(14)18-20-17-8-3-2-6-16(17)19(21)23-18/h2-3,6-11H,4-5H2,1H3
InChIKeyNMZHFUYEMRFDQC-UHFFFAOYSA-N
XLogP3.57
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

beta-NAPHTHYL ANTHRANILATE
CID 62217
2-(4-methoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 708717
2-(2-Tolyl)-4H-3,1-benzoxazin-4-one
CID 810910
2-(3,4,5-Trimethoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 292880
2-(2-methoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 752387
[2-[(E)-2-(4-oxo-3,1-benzoxazin-2-yl)ethenyl]phenyl] acetate
CID 5291337
[4-oxo-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-6-yl] acetate
CID 5377701
4-[(E)-2-(4-oxo-4H-3,1-benzoxazin-2-yl)ethenyl]phenyl acetate
CID 5718167
4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
CID 741510
2-(3-methoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 699931
2-(4-ethoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 714792
2-(4-Methoxyphenyl)indol-3-one
CID 2308516

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one (CID 11779851) is 2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one is COc1ccc2c(c1)CCC=C2c1nc2ccccc2c(=O)o1.
What is the InChIKey of 2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one?
The InChIKey is NMZHFUYEMRFDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-22-13-9-10-14-12(11-13)5-4-7-15(14)18-20-17-8-3-2-6-16(17)19(21)23-18/h2-3,6-11H,4-5H2,1H3.
What are the key properties of 2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one?
2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one has a molecular weight of 305.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3,4-dihydronaphthalen-1-yl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 11779851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).