4-bromo-1,2-bis(1-methoxypropyl)benzene

C14H21BrO2 — CID 68654874

IUPAC4-bromo-1,2-bis(1-methoxypropyl)benzene
SMILESCCC(OC)c1ccc(Br)cc1C(CC)OC
InChIInChI=1S/C14H21BrO2/c1-5-13(16-3)11-8-7-10(15)9-12(11)14(6-2)17-4/h7-9,13-14H,5-6H2,1-4H3
InChIKeyJYBJSFIGINKFGT-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.64
Rot. Bonds6

About 4-bromo-1,2-bis(1-methoxypropyl)benzene

4-bromo-1,2-bis(1-methoxypropyl)benzene (PubChem CID 68654874) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 4-bromo-1,2-bis(1-methoxypropyl)benzene.

Molecular Properties

Compound Name4-bromo-1,2-bis(1-methoxypropyl)benzene
PubChem CID68654874
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name4-bromo-1,2-bis(1-methoxypropyl)benzene
SMILESCCC(OC)c1ccc(Br)cc1C(CC)OC
InChIInChI=1S/C14H21BrO2/c1-5-13(16-3)11-8-7-10(15)9-12(11)14(6-2)17-4/h7-9,13-14H,5-6H2,1-4H3
InChIKeyJYBJSFIGINKFGT-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(5-bromo-2-methoxyphenyl)-methoxymethanamine
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1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine
CID 43149088
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
(1R)-1-(4-bromo-2-pentan-3-yloxyphenyl)ethanamine
CID 102946639
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
(1S)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221153
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
(1R)-1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201616

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2-bis(1-methoxypropyl)benzene?
The IUPAC name of 4-bromo-1,2-bis(1-methoxypropyl)benzene (CID 68654874) is 4-bromo-1,2-bis(1-methoxypropyl)benzene.
What is the SMILES notation for 4-bromo-1,2-bis(1-methoxypropyl)benzene?
The canonical SMILES for 4-bromo-1,2-bis(1-methoxypropyl)benzene is CCC(OC)c1ccc(Br)cc1C(CC)OC.
What is the InChIKey of 4-bromo-1,2-bis(1-methoxypropyl)benzene?
The InChIKey is JYBJSFIGINKFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-5-13(16-3)11-8-7-10(15)9-12(11)14(6-2)17-4/h7-9,13-14H,5-6H2,1-4H3.
What are the key properties of 4-bromo-1,2-bis(1-methoxypropyl)benzene?
4-bromo-1,2-bis(1-methoxypropyl)benzene has a molecular weight of 301.22 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,2-bis(1-methoxypropyl)benzene is sourced from PubChem (CID 68654874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).