8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione

C17H14ClNO5 — CID 18803593

IUPAC8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
SMILESCOc1ccc(OCCn2c(=O)oc(=O)c3cccc(Cl)c32)cc1
InChIInChI=1S/C17H14ClNO5/c1-22-11-5-7-12(8-6-11)23-10-9-19-15-13(3-2-4-14(15)18)16(20)24-17(19)21/h2-8H,9-10H2,1H3
InChIKeySAUAPIMFXYHYSV-UHFFFAOYSA-N
MW347.75 g/mol
LogP2.70
Rot. Bonds5

About 8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione

8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione (PubChem CID 18803593) has the molecular formula C17H14ClNO5 and a molecular weight of 347.75 g/mol. Its IUPAC name is 8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
PubChem CID18803593
Molecular FormulaC17H14ClNO5
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC Name8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
SMILESCOc1ccc(OCCn2c(=O)oc(=O)c3cccc(Cl)c32)cc1
InChIInChI=1S/C17H14ClNO5/c1-22-11-5-7-12(8-6-11)23-10-9-19-15-13(3-2-4-14(15)18)16(20)24-17(19)21/h2-8H,9-10H2,1H3
InChIKeySAUAPIMFXYHYSV-UHFFFAOYSA-N
XLogP2.70
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-8-chloro-3,1-benzoxazine-2,4-dione
CID 18803605
8-chloro-1-[2-(3-methylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803591
8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione
CID 18803635
1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione
CID 18803337
6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803871
8-chloro-1-(3-methylbutyl)-3,1-benzoxazine-2,4-dione
CID 18803585
6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803869
8-methoxy-1-[2-(4-methoxyphenoxy)ethyl]-4-methylquinolin-2-one
CID 46302499
8-bromo-6-methyl-1-(2-phenoxyethyl)-3,1-benzoxazine-2,4-dione
CID 18802671
1-[4-(2,6-dimethylphenoxy)butyl]-8-methyl-3,1-benzoxazine-2,4-dione
CID 18803377
1-[2-(4-chloro-3-methylphenoxy)ethyl]-6-methyl-3,1-benzoxazine-2,4-dione
CID 18802463
1-[4-(4-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802300

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione?
The IUPAC name of 8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione (CID 18803593) is 8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione is COc1ccc(OCCn2c(=O)oc(=O)c3cccc(Cl)c32)cc1.
What is the InChIKey of 8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione?
The InChIKey is SAUAPIMFXYHYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5/c1-22-11-5-7-12(8-6-11)23-10-9-19-15-13(3-2-4-14(15)18)16(20)24-17(19)21/h2-8H,9-10H2,1H3.
What are the key properties of 8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione?
8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione has a molecular weight of 347.75 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 18803593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).