2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone

C19H18ClNO3 — CID 91324440

IUPAC2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CC1=NC(C)(C)Oc2ccc(Cl)cc21
InChIInChI=1S/C19H18ClNO3/c1-19(2)21-15(14-10-12(20)8-9-18(14)24-19)11-16(22)13-6-4-5-7-17(13)23-3/h4-10H,11H2,1-3H3
InChIKeyYWSZVOZXQISJHK-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.54
Rot. Bonds4

About 2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone

2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone (PubChem CID 91324440) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone
PubChem CID91324440
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CC1=NC(C)(C)Oc2ccc(Cl)cc21
InChIInChI=1S/C19H18ClNO3/c1-19(2)21-15(14-10-12(20)8-9-18(14)24-19)11-16(22)13-6-4-5-7-17(13)23-3/h4-10H,11H2,1-3H3
InChIKeyYWSZVOZXQISJHK-UHFFFAOYSA-N
XLogP4.54
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone (CID 91324440) is 2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)CC1=NC(C)(C)Oc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone?
The InChIKey is YWSZVOZXQISJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-19(2)21-15(14-10-12(20)8-9-18(14)24-19)11-16(22)13-6-4-5-7-17(13)23-3/h4-10H,11H2,1-3H3.
What are the key properties of 2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone?
2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone has a molecular weight of 343.81 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,2-dimethyl-1,3-benzoxazin-4-yl)-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 91324440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).