1-bromo-4-[ethoxy(methoxy)methoxy]benzene

C10H13BrO3 — CID 54505010

IUPAC1-bromo-4-[ethoxy(methoxy)methoxy]benzene
SMILESCCOC(OC)Oc1ccc(Br)cc1
InChIInChI=1S/C10H13BrO3/c1-3-13-10(12-2)14-9-6-4-8(11)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyYFBDMJMNYZAWEO-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.79
Rot. Bonds5

About 1-bromo-4-[ethoxy(methoxy)methoxy]benzene

1-bromo-4-[ethoxy(methoxy)methoxy]benzene (PubChem CID 54505010) has the molecular formula C10H13BrO3 and a molecular weight of 261.12 g/mol. Its IUPAC name is 1-bromo-4-[ethoxy(methoxy)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[ethoxy(methoxy)methoxy]benzene
PubChem CID54505010
Molecular FormulaC10H13BrO3
Molecular Weight261.12 g/mol
Exact Mass260.00
IUPAC Name1-bromo-4-[ethoxy(methoxy)methoxy]benzene
SMILESCCOC(OC)Oc1ccc(Br)cc1
InChIInChI=1S/C10H13BrO3/c1-3-13-10(12-2)14-9-6-4-8(11)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyYFBDMJMNYZAWEO-UHFFFAOYSA-N
XLogP2.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.79
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

4-Bromoanisole
CID 7730
2-Bromoanisole
CID 11358
3-Bromoanisole
CID 16971
Benzene, 2-bromo-1,4-dimethoxy-
CID 91353
Phenol, 4-bromo-, 1-acetate
CID 74726
Benzene, 4-bromo-1,2-dimethoxy-
CID 76114
4-Bromophenetole
CID 68523
4-Bromo-2-iodo-1-methoxybenzene
CID 10979904
2,4-Dibromoanisole
CID 27011
2-Bromophenetole
CID 68500
2-Bromoethyl p-bromophenyl ether
CID 87797
2-(p-Bromophenoxy)ethanol
CID 99168

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[ethoxy(methoxy)methoxy]benzene?
The IUPAC name of 1-bromo-4-[ethoxy(methoxy)methoxy]benzene (CID 54505010) is 1-bromo-4-[ethoxy(methoxy)methoxy]benzene.
What is the SMILES notation for 1-bromo-4-[ethoxy(methoxy)methoxy]benzene?
The canonical SMILES for 1-bromo-4-[ethoxy(methoxy)methoxy]benzene is CCOC(OC)Oc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[ethoxy(methoxy)methoxy]benzene?
The InChIKey is YFBDMJMNYZAWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-3-13-10(12-2)14-9-6-4-8(11)5-7-9/h4-7,10H,3H2,1-2H3.
What are the key properties of 1-bromo-4-[ethoxy(methoxy)methoxy]benzene?
1-bromo-4-[ethoxy(methoxy)methoxy]benzene has a molecular weight of 261.12 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[ethoxy(methoxy)methoxy]benzene is sourced from PubChem (CID 54505010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).