2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene

C14H21BrO — CID 82255002

IUPAC2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene
SMILESCCCC(Br)Cc1c(C)cc(OC)cc1C
InChIInChI=1S/C14H21BrO/c1-5-6-12(15)9-14-10(2)7-13(16-4)8-11(14)3/h7-8,12H,5-6,9H2,1-4H3
InChIKeyQXQOUZXZWSVEOO-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.42
Rot. Bonds5

About 2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene

2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene (PubChem CID 82255002) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene
PubChem CID82255002
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene
SMILESCCCC(Br)Cc1c(C)cc(OC)cc1C
InChIInChI=1S/C14H21BrO/c1-5-6-12(15)9-14-10(2)7-13(16-4)8-11(14)3/h7-8,12H,5-6,9H2,1-4H3
InChIKeyQXQOUZXZWSVEOO-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
CID 82255191
4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol
CID 83940153
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
2-(1-bromooctyl)-1,3,5-trimethoxybenzene
CID 63438336
4-(4-methoxy-2,6-dimethylphenyl)butanenitrile
CID 83940113
4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid
CID 82350962
methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate
CID 82351560
2-(1-bromoheptyl)-1,3-difluoro-5-methoxybenzene
CID 114753540
2-(1-bromo-2-propylpentyl)-1,3,5-trimethoxybenzene
CID 82990059
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
2-(4-bromobutan-2-yl)-5-methoxy-1,3-dimethylbenzene
CID 83940053

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene?
The IUPAC name of 2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene (CID 82255002) is 2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene.
What is the SMILES notation for 2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene?
The canonical SMILES for 2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene is CCCC(Br)Cc1c(C)cc(OC)cc1C.
What is the InChIKey of 2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene?
The InChIKey is QXQOUZXZWSVEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-5-6-12(15)9-14-10(2)7-13(16-4)8-11(14)3/h7-8,12H,5-6,9H2,1-4H3.
What are the key properties of 2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene?
2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene has a molecular weight of 285.22 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene is sourced from PubChem (CID 82255002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).