1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene

C15H23BrO2 — CID 55035940

IUPAC1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene
SMILESCOc1ccccc1C(CBr)OC(C)CC(C)C
InChIInChI=1S/C15H23BrO2/c1-11(2)9-12(3)18-15(10-16)13-7-5-6-8-14(13)17-4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyMWDHFOKMKJYJCS-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.58
Rot. Bonds7

About 1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene

1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene (PubChem CID 55035940) has the molecular formula C15H23BrO2 and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene
PubChem CID55035940
Molecular FormulaC15H23BrO2
Molecular Weight315.25 g/mol
Exact Mass314.09
IUPAC Name1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene
SMILESCOc1ccccc1C(CBr)OC(C)CC(C)C
InChIInChI=1S/C15H23BrO2/c1-11(2)9-12(3)18-15(10-16)13-7-5-6-8-14(13)17-4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyMWDHFOKMKJYJCS-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene
CID 102984547
N-[2-(2-methoxyphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
CID 62108264
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
methyl 2-(2-methoxyphenyl)-4-methylpentanoate
CID 112508329
2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine
CID 55019250
1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene
CID 63933657
[2-[[2-di(propan-2-yl)phosphanylphenyl]-(2-methoxyphenyl)methyl]phenyl]-di(propan-2-yl)phosphane
CID 139112665
N-[2-(2-bromophenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
CID 63473525
1-methoxy-2-[(1R)-1-propan-2-yloxyethyl]benzene
CID 10750337
1-(3-bromobutan-2-yl)-2-methoxybenzene
CID 66469864

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene?
The IUPAC name of 1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene (CID 55035940) is 1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene.
What is the SMILES notation for 1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene?
The canonical SMILES for 1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene is COc1ccccc1C(CBr)OC(C)CC(C)C.
What is the InChIKey of 1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene?
The InChIKey is MWDHFOKMKJYJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO2/c1-11(2)9-12(3)18-15(10-16)13-7-5-6-8-14(13)17-4/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of 1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene?
1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene has a molecular weight of 315.25 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-1-(4-methylpentan-2-yloxy)ethyl]-2-methoxybenzene is sourced from PubChem (CID 55035940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).