5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene

C16H16BrClO2 — CID 63458388

IUPAC5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene
SMILESCOc1ccc(Br)cc1COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C16H16BrClO2/c1-10-6-14(7-11(2)16(10)18)20-9-12-8-13(17)4-5-15(12)19-3/h4-8H,9H2,1-3H3
InChIKeyCVEXDJFOCLMELH-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.31
Rot. Bonds4

About 5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene

5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene (PubChem CID 63458388) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene
PubChem CID63458388
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene
SMILESCOc1ccc(Br)cc1COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C16H16BrClO2/c1-10-6-14(7-11(2)16(10)18)20-9-12-8-13(17)4-5-15(12)19-3/h4-8H,9H2,1-3H3
InChIKeyCVEXDJFOCLMELH-UHFFFAOYSA-N
XLogP5.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
(2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol
CID 66516300
4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene
CID 107284239
4-[(5-bromo-2-methoxyphenyl)methoxy]-2-methyl-1-nitrobenzene
CID 60704411
1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
CID 63457710
2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054
2-[(E)-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 17387507
4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370
4-[(5-bromo-2-methoxyphenyl)methoxy]-2-chlorobenzenecarbothioamide
CID 102724204
2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723768
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-4-methylbenzene
CID 63535753

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene?
The IUPAC name of 5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene (CID 63458388) is 5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene.
What is the SMILES notation for 5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene?
The canonical SMILES for 5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene is COc1ccc(Br)cc1COc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene?
The InChIKey is CVEXDJFOCLMELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-10-6-14(7-11(2)16(10)18)20-9-12-8-13(17)4-5-15(12)19-3/h4-8H,9H2,1-3H3.
What are the key properties of 5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene?
5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene has a molecular weight of 355.66 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene is sourced from PubChem (CID 63458388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).