1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene

C16H17BrO3 — CID 63987057

IUPAC1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
SMILESCOCc1cccc(OCCOc2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrO3/c1-18-12-13-4-2-6-15(10-13)19-8-9-20-16-7-3-5-14(17)11-16/h2-7,10-11H,8-9,12H2,1H3
InChIKeyJRXNPQMKIHTUAA-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.05
Rot. Bonds7

About 1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene

1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene (PubChem CID 63987057) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
PubChem CID63987057
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
SMILESCOCc1cccc(OCCOc2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrO3/c1-18-12-13-4-2-6-15(10-13)19-8-9-20-16-7-3-5-14(17)11-16/h2-7,10-11H,8-9,12H2,1H3
InChIKeyJRXNPQMKIHTUAA-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
4-bromo-N-[2-[3-(methoxymethyl)phenoxy]ethyl]aniline
CID 63984837
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
N-[[3-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63057256
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene?
The IUPAC name of 1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene (CID 63987057) is 1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene.
What is the SMILES notation for 1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene?
The canonical SMILES for 1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene is COCc1cccc(OCCOc2cccc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene?
The InChIKey is JRXNPQMKIHTUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-18-12-13-4-2-6-15(10-13)19-8-9-20-16-7-3-5-14(17)11-16/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene?
1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene has a molecular weight of 337.21 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene is sourced from PubChem (CID 63987057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).