4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene

C13H19BrO2 — CID 107896132

IUPAC4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene
SMILESCCCC(C)Oc1cc(CBr)ccc1OC
InChIInChI=1S/C13H19BrO2/c1-4-5-10(2)16-13-8-11(9-14)6-7-12(13)15-3/h6-8,10H,4-5,9H2,1-3H3
InChIKeyAZONDDALQPIDFV-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.16
Rot. Bonds6

About 4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene

4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene (PubChem CID 107896132) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene
PubChem CID107896132
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene
SMILESCCCC(C)Oc1cc(CBr)ccc1OC
InChIInChI=1S/C13H19BrO2/c1-4-5-10(2)16-13-8-11(9-14)6-7-12(13)15-3/h6-8,10H,4-5,9H2,1-3H3
InChIKeyAZONDDALQPIDFV-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.16
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

N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890766
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107890983
4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene
CID 62103662
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
1-bromo-5-(bromomethyl)-3-ethoxy-2-pentan-2-yloxybenzene
CID 114013775
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890758
4-(bromomethyl)-2-hexoxy-1-methoxybenzene
CID 43141756
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
1-(bromomethyl)-2-pentan-2-yloxybenzene
CID 107896126
4-(3-bromohexyl)-1,2-dimethoxybenzene
CID 64506935
4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43324734

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene?
The IUPAC name of 4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene (CID 107896132) is 4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene.
What is the SMILES notation for 4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene?
The canonical SMILES for 4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene is CCCC(C)Oc1cc(CBr)ccc1OC.
What is the InChIKey of 4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene?
The InChIKey is AZONDDALQPIDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-4-5-10(2)16-13-8-11(9-14)6-7-12(13)15-3/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene?
4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene has a molecular weight of 287.20 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene is sourced from PubChem (CID 107896132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).