1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene

C13H19BrO3 — CID 134249348

IUPAC1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene
SMILESCCOC(C)Oc1cc(Br)cc(C(C)OC)c1
InChIInChI=1S/C13H19BrO3/c1-5-16-10(3)17-13-7-11(9(2)15-4)6-12(14)8-13/h6-10H,5H2,1-4H3
InChIKeyFDXGWWIDSHFPCM-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.92
Rot. Bonds6

About 1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene

1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene (PubChem CID 134249348) has the molecular formula C13H19BrO3 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene
PubChem CID134249348
Molecular FormulaC13H19BrO3
Molecular Weight303.20 g/mol
Exact Mass302.05
IUPAC Name1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene
SMILESCCOC(C)Oc1cc(Br)cc(C(C)OC)c1
InChIInChI=1S/C13H19BrO3/c1-5-16-10(3)17-13-7-11(9(2)15-4)6-12(14)8-13/h6-10H,5H2,1-4H3
InChIKeyFDXGWWIDSHFPCM-UHFFFAOYSA-N
XLogP3.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-dibromo-5-(1-ethoxyethoxy)benzene
CID 134249105
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene
CID 168757602
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857
lithium 1-(1-ethoxyethoxy)-3-methoxybenzene-5-ide
CID 23691348
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
1,3-dibromo-5-propan-2-yloxybenzene
CID 50998234
benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane
CID 163693929
1-bromo-3-hexan-2-yl-5-methoxybenzene
CID 54002758
2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene
CID 69264851
(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine
CID 130632981

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene?
The IUPAC name of 1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene (CID 134249348) is 1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene.
What is the SMILES notation for 1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene?
The canonical SMILES for 1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene is CCOC(C)Oc1cc(Br)cc(C(C)OC)c1.
What is the InChIKey of 1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene?
The InChIKey is FDXGWWIDSHFPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO3/c1-5-16-10(3)17-13-7-11(9(2)15-4)6-12(14)8-13/h6-10H,5H2,1-4H3.
What are the key properties of 1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene?
1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene has a molecular weight of 303.20 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene is sourced from PubChem (CID 134249348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).