1-bromo-4-(3-methylpentyl)benzene

C12H17Br — CID 156726956

IUPAC1-bromo-4-(3-methylpentyl)benzene
SMILESCCC(C)CCc1ccc(Br)cc1
InChIInChI=1S/C12H17Br/c1-3-10(2)4-5-11-6-8-12(13)9-7-11/h6-10H,3-5H2,1-2H3
InChIKeyRGTXUEQOPPOQHO-UHFFFAOYSA-N
MW241.17 g/mol
LogP4.43
Rot. Bonds4

About 1-bromo-4-(3-methylpentyl)benzene

1-bromo-4-(3-methylpentyl)benzene (PubChem CID 156726956) has the molecular formula C12H17Br and a molecular weight of 241.17 g/mol. Its IUPAC name is 1-bromo-4-(3-methylpentyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-methylpentyl)benzene
PubChem CID156726956
Molecular FormulaC12H17Br
Molecular Weight241.17 g/mol
Exact Mass240.05
IUPAC Name1-bromo-4-(3-methylpentyl)benzene
SMILESCCC(C)CCc1ccc(Br)cc1
InChIInChI=1S/C12H17Br/c1-3-10(2)4-5-11-6-8-12(13)9-7-11/h6-10H,3-5H2,1-2H3
InChIKeyRGTXUEQOPPOQHO-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 57225129
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1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-[(4S)-4-methylhexoxy]benzene
CID 14692508
1,3-dibromo-2-(3-methylpentyl)benzene
CID 59009897
1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride
CID 160507683
magnesium;1-bromo-4-propylbenzene;hydride
CID 173224874

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-methylpentyl)benzene?
The IUPAC name of 1-bromo-4-(3-methylpentyl)benzene (CID 156726956) is 1-bromo-4-(3-methylpentyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-methylpentyl)benzene?
The canonical SMILES for 1-bromo-4-(3-methylpentyl)benzene is CCC(C)CCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(3-methylpentyl)benzene?
The InChIKey is RGTXUEQOPPOQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br/c1-3-10(2)4-5-11-6-8-12(13)9-7-11/h6-10H,3-5H2,1-2H3.
What are the key properties of 1-bromo-4-(3-methylpentyl)benzene?
1-bromo-4-(3-methylpentyl)benzene has a molecular weight of 241.17 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-methylpentyl)benzene is sourced from PubChem (CID 156726956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).