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

C18H16ClNO4 — CID 18803337

IUPAC1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione
SMILESCc1cc(OCCn2c(=O)oc(=O)c3cccc(C)c32)ccc1Cl
InChIInChI=1S/C18H16ClNO4/c1-11-4-3-5-14-16(11)20(18(22)24-17(14)21)8-9-23-13-6-7-15(19)12(2)10-13/h3-7,10H,8-9H2,1-2H3
InChIKeyBQKHWCAZGOPRGD-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.30
Rot. Bonds4

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

1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione (PubChem CID 18803337) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione
PubChem CID18803337
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione
SMILESCc1cc(OCCn2c(=O)oc(=O)c3cccc(C)c32)ccc1Cl
InChIInChI=1S/C18H16ClNO4/c1-11-4-3-5-14-16(11)20(18(22)24-17(14)21)8-9-23-13-6-7-15(19)12(2)10-13/h3-7,10H,8-9H2,1-2H3
InChIKeyBQKHWCAZGOPRGD-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione with MolForge

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Related Compounds

8-chloro-1-[2-(3-methylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803591
1-[2-(4-chloro-3-methylphenoxy)ethyl]-6-methyl-3,1-benzoxazine-2,4-dione
CID 18802463
8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803593
1-[2-(4-bromophenoxy)ethyl]-8-chloro-3,1-benzoxazine-2,4-dione
CID 18803605
3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 33276536
1-[4-(2,6-dimethylphenoxy)butyl]-8-methyl-3,1-benzoxazine-2,4-dione
CID 18803377
6-chloro-1-[4-(4-chloro-3-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18803165
8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione
CID 18803635
6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803869
6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803871
8-methyl-1-(3-methylbutyl)-3,1-benzoxazine-2,4-dione
CID 18803315
8-bromo-1-[2-(2,6-dimethylphenoxy)ethyl]-6-methyl-3,1-benzoxazine-2,4-dione
CID 18802690

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione (CID 18803337) is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione is Cc1cc(OCCn2c(=O)oc(=O)c3cccc(C)c32)ccc1Cl.
What is the InChIKey of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione?
The InChIKey is BQKHWCAZGOPRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-11-4-3-5-14-16(11)20(18(22)24-17(14)21)8-9-23-13-6-7-15(19)12(2)10-13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione?
1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione has a molecular weight of 345.78 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 18803337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).