1-bromo-2-methoxy-4-propoxybenzene

C10H13BrO2 — CID 19594935

IUPAC1-bromo-2-methoxy-4-propoxybenzene
SMILESCCCOc1ccc(Br)c(OC)c1
InChIInChI=1S/C10H13BrO2/c1-3-6-13-8-4-5-9(11)10(7-8)12-2/h4-5,7H,3,6H2,1-2H3
InChIKeyDJVGJPKDBDIQQL-UHFFFAOYSA-N
MW245.12 g/mol
LogP3.25
Rot. Bonds4

About 1-bromo-2-methoxy-4-propoxybenzene

1-bromo-2-methoxy-4-propoxybenzene (PubChem CID 19594935) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-bromo-2-methoxy-4-propoxybenzene.

Molecular Properties

Compound Name1-bromo-2-methoxy-4-propoxybenzene
PubChem CID19594935
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-bromo-2-methoxy-4-propoxybenzene
SMILESCCCOc1ccc(Br)c(OC)c1
InChIInChI=1S/C10H13BrO2/c1-3-6-13-8-4-5-9(11)10(7-8)12-2/h4-5,7H,3,6H2,1-2H3
InChIKeyDJVGJPKDBDIQQL-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxy-4-propoxybenzene?
The IUPAC name of 1-bromo-2-methoxy-4-propoxybenzene (CID 19594935) is 1-bromo-2-methoxy-4-propoxybenzene.
What is the SMILES notation for 1-bromo-2-methoxy-4-propoxybenzene?
The canonical SMILES for 1-bromo-2-methoxy-4-propoxybenzene is CCCOc1ccc(Br)c(OC)c1.
What is the InChIKey of 1-bromo-2-methoxy-4-propoxybenzene?
The InChIKey is DJVGJPKDBDIQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-3-6-13-8-4-5-9(11)10(7-8)12-2/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-bromo-2-methoxy-4-propoxybenzene?
1-bromo-2-methoxy-4-propoxybenzene has a molecular weight of 245.12 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxy-4-propoxybenzene is sourced from PubChem (CID 19594935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).