1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene

C13H18Br2O3 — CID 91468170

IUPAC1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene
SMILESCCCCCOc1c(OC)c(Br)cc(Br)c1OC
InChIInChI=1S/C13H18Br2O3/c1-4-5-6-7-18-13-11(16-2)9(14)8-10(15)12(13)17-3/h8H,4-7H2,1-3H3
InChIKeyRJXCFPDOYZWTBY-UHFFFAOYSA-N
MW382.09 g/mol
LogP4.80
Rot. Bonds7

About 1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene

1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene (PubChem CID 91468170) has the molecular formula C13H18Br2O3 and a molecular weight of 382.09 g/mol. Its IUPAC name is 1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene.

Molecular Properties

Compound Name1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene
PubChem CID91468170
Molecular FormulaC13H18Br2O3
Molecular Weight382.09 g/mol
Exact Mass379.96
IUPAC Name1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene
SMILESCCCCCOc1c(OC)c(Br)cc(Br)c1OC
InChIInChI=1S/C13H18Br2O3/c1-4-5-6-7-18-13-11(16-2)9(14)8-10(15)12(13)17-3/h8H,4-7H2,1-3H3
InChIKeyRJXCFPDOYZWTBY-UHFFFAOYSA-N
XLogP4.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.09
LogP ≤ 54.80
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

(3-bromo-5-methoxy-4-pentoxyphenyl)methylazanium
CID 7139506
(3-bromo-5-methoxy-4-pentoxyphenyl)methanamine
CID 7139507
3-bromo-5-methoxy-4-pentoxybenzonitrile
CID 22682982
1,3-dibromo-2-hexoxybenzene
CID 101293505
5,11,17,23-tetrabromo-25,26,27,28-tetra(nonoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 122221662
1,2-dibromo-4,5-didecoxybenzene
CID 71339465
N-[(3,5-dibromo-4-heptoxyphenyl)methyl]ethanamine
CID 107742175
2,6,10-tribromo-3,7,11-trihexoxytriphenylene
CID 88922830
2,7-dimethoxy-3,6,10,11-tetrapentoxytriphenylene
CID 10054806
2,5-dibromo-3,4-di(icosoxy)thiophene
CID 141270733
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene?
The IUPAC name of 1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene (CID 91468170) is 1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene.
What is the SMILES notation for 1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene?
The canonical SMILES for 1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene is CCCCCOc1c(OC)c(Br)cc(Br)c1OC.
What is the InChIKey of 1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene?
The InChIKey is RJXCFPDOYZWTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2O3/c1-4-5-6-7-18-13-11(16-2)9(14)8-10(15)12(13)17-3/h8H,4-7H2,1-3H3.
What are the key properties of 1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene?
1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene has a molecular weight of 382.09 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,4-dimethoxy-3-pentoxybenzene is sourced from PubChem (CID 91468170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).