1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane

C13H21BrO3 — CID 144931224

IUPAC1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
SMILESCC.COCCOCCOc1cccc(Br)c1
InChIInChI=1S/C11H15BrO3.C2H6/c1-13-5-6-14-7-8-15-11-4-2-3-10(12)9-11;1-2/h2-4,9H,5-8H2,1H3;1-2H3
InChIKeyRGNGKJSTANSGNI-UHFFFAOYSA-N
MW305.21 g/mol
LogP3.52
Rot. Bonds7

About 1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane

1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane (PubChem CID 144931224) has the molecular formula C13H21BrO3 and a molecular weight of 305.21 g/mol. Its IUPAC name is 1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane.

Molecular Properties

Compound Name1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
PubChem CID144931224
Molecular FormulaC13H21BrO3
Molecular Weight305.21 g/mol
Exact Mass304.07
IUPAC Name1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
SMILESCC.COCCOCCOc1cccc(Br)c1
InChIInChI=1S/C11H15BrO3.C2H6/c1-13-5-6-14-7-8-15-11-4-2-3-10(12)9-11;1-2/h2-4,9H,5-8H2,1H3;1-2H3
InChIKeyRGNGKJSTANSGNI-UHFFFAOYSA-N
XLogP3.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 53.52
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-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
CID 63987057
1-bromo-3-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
CID 60732563
2-[2-(3-bromophenoxy)ethoxy]-N-ethylethanamine
CID 62337630
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide
CID 55348926
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
1-bromo-3-ethoxybenzene;ethane
CID 143900364

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane?
The IUPAC name of 1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane (CID 144931224) is 1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane.
What is the SMILES notation for 1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane?
The canonical SMILES for 1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane is CC.COCCOCCOc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane?
The InChIKey is RGNGKJSTANSGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3.C2H6/c1-13-5-6-14-7-8-15-11-4-2-3-10(12)9-11;1-2/h2-4,9H,5-8H2,1H3;1-2H3.
What are the key properties of 1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane?
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane has a molecular weight of 305.21 g/mol, XLogP of 3.52, 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-(2-methoxyethoxy)ethoxy]benzene;ethane is sourced from PubChem (CID 144931224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).