3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C18H18BrNO5 — CID 170608697

IUPAC3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCOc1cccc(Br)c1COc1ccc(N2CC(CO)OC2=O)cc1
InChIInChI=1S/C18H18BrNO5/c1-23-17-4-2-3-16(19)15(17)11-24-13-7-5-12(6-8-13)20-9-14(10-21)25-18(20)22/h2-8,14,21H,9-11H2,1H3
InChIKeyDFNFSLHTLSDBEH-UHFFFAOYSA-N
MW408.25 g/mol
LogP3.35
Rot. Bonds6

About 3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 170608697) has the molecular formula C18H18BrNO5 and a molecular weight of 408.25 g/mol. Its IUPAC name is 3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID170608697
Molecular FormulaC18H18BrNO5
Molecular Weight408.25 g/mol
Exact Mass407.04
IUPAC Name3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCOc1cccc(Br)c1COc1ccc(N2CC(CO)OC2=O)cc1
InChIInChI=1S/C18H18BrNO5/c1-23-17-4-2-3-16(19)15(17)11-24-13-7-5-12(6-8-13)20-9-14(10-21)25-18(20)22/h2-8,14,21H,9-11H2,1H3
InChIKeyDFNFSLHTLSDBEH-UHFFFAOYSA-N
XLogP3.35
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 170608697) is 3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is COc1cccc(Br)c1COc1ccc(N2CC(CO)OC2=O)cc1.
What is the InChIKey of 3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is DFNFSLHTLSDBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO5/c1-23-17-4-2-3-16(19)15(17)11-24-13-7-5-12(6-8-13)20-9-14(10-21)25-18(20)22/h2-8,14,21H,9-11H2,1H3.
What are the key properties of 3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 408.25 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 170608697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).