1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene

C15H21BrCl2O — CID 82987273

IUPAC1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene
SMILESCCCC(CCC)C(Br)c1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C15H21BrCl2O/c1-4-6-10(7-5-2)15(16)11-8-13(18)14(19-3)9-12(11)17/h8-10,15H,4-7H2,1-3H3
InChIKeyCCSQZEIBQHBXRH-UHFFFAOYSA-N
MW368.14 g/mol
LogP6.65
Rot. Bonds7

About 1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene

1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene (PubChem CID 82987273) has the molecular formula C15H21BrCl2O and a molecular weight of 368.14 g/mol. Its IUPAC name is 1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene
PubChem CID82987273
Molecular FormulaC15H21BrCl2O
Molecular Weight368.14 g/mol
Exact Mass366.02
IUPAC Name1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene
SMILESCCCC(CCC)C(Br)c1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C15H21BrCl2O/c1-4-6-10(7-5-2)15(16)11-8-13(18)14(19-3)9-12(11)17/h8-10,15H,4-7H2,1-3H3
InChIKeyCCSQZEIBQHBXRH-UHFFFAOYSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.14
LogP ≤ 56.65
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-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine
CID 114752658
2-(1-bromo-2-propylpentyl)-1,3,5-trimethoxybenzene
CID 82990059
1-(1-bromo-2,2-difluoroethyl)-2,5-dichloro-4-ethoxybenzene
CID 103514645
1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
CID 82268059
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine
CID 82297325
3-(1-bromo-2-propylpentyl)-2,5-dichlorothiophene
CID 82987916
1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine
CID 116914633
1-(4-chloro-2-fluoro-5-methoxyphenyl)butan-1-amine
CID 83988368
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835620
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene?
The IUPAC name of 1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene (CID 82987273) is 1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene.
What is the SMILES notation for 1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene?
The canonical SMILES for 1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene is CCCC(CCC)C(Br)c1cc(Cl)c(OC)cc1Cl.
What is the InChIKey of 1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene?
The InChIKey is CCSQZEIBQHBXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrCl2O/c1-4-6-10(7-5-2)15(16)11-8-13(18)14(19-3)9-12(11)17/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene?
1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene has a molecular weight of 368.14 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene is sourced from PubChem (CID 82987273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).