1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene

C12H17BrO3 — CID 103409891

IUPAC1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
SMILESCOCCOCCCOc1cccc(Br)c1
InChIInChI=1S/C12H17BrO3/c1-14-8-9-15-6-3-7-16-12-5-2-4-11(13)10-12/h2,4-5,10H,3,6-9H2,1H3
InChIKeyQTPUTDVRFKYPKA-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.88
Rot. Bonds8

About 1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene

1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene (PubChem CID 103409891) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
PubChem CID103409891
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
SMILESCOCCOCCCOc1cccc(Br)c1
InChIInChI=1S/C12H17BrO3/c1-14-8-9-15-6-3-7-16-12-5-2-4-11(13)10-12/h2,4-5,10H,3,6-9H2,1H3
InChIKeyQTPUTDVRFKYPKA-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.88
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-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
1-(chloromethyl)-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410378
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
1-bromo-3-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
CID 60732563
3-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 63073270
1-bromo-3-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179398
1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103179889
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
CID 63987057

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene?
The IUPAC name of 1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene (CID 103409891) is 1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene.
What is the SMILES notation for 1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene?
The canonical SMILES for 1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene is COCCOCCCOc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene?
The InChIKey is QTPUTDVRFKYPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c1-14-8-9-15-6-3-7-16-12-5-2-4-11(13)10-12/h2,4-5,10H,3,6-9H2,1H3.
What are the key properties of 1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene?
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene has a molecular weight of 289.17 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene is sourced from PubChem (CID 103409891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).