4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene

C13H19BrO2 — CID 62103662

IUPAC4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene
SMILESCCC(C)COc1cc(CBr)ccc1OC
InChIInChI=1S/C13H19BrO2/c1-4-10(2)9-16-13-7-11(8-14)5-6-12(13)15-3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyPKUWKMQEWCYFQP-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.01
Rot. Bonds6

About 4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene

4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene (PubChem CID 62103662) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene
PubChem CID62103662
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene
SMILESCCC(C)COc1cc(CBr)ccc1OC
InChIInChI=1S/C13H19BrO2/c1-4-10(2)9-16-13-7-11(8-14)5-6-12(13)15-3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyPKUWKMQEWCYFQP-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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

4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43324734
4-(bromomethyl)-2-hexoxy-1-methoxybenzene
CID 43141756
4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene
CID 107896132
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
5-[5-(bromomethyl)-2-methoxyphenoxy]pentanenitrile
CID 54966373
4-bromo-2-[(5-bromo-2-methoxyphenyl)methyl]-1-[(2S)-2-methylbutoxy]benzene
CID 139605000
1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105521
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
CID 107664506
N-[[3-ethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 62103258
N-[[3-bromo-4-(2-methylbutoxy)phenyl]methyl]ethanamine
CID 63047238

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene?
The IUPAC name of 4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene (CID 62103662) is 4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene.
What is the SMILES notation for 4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene?
The canonical SMILES for 4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene is CCC(C)COc1cc(CBr)ccc1OC.
What is the InChIKey of 4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene?
The InChIKey is PKUWKMQEWCYFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-4-10(2)9-16-13-7-11(8-14)5-6-12(13)15-3/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene?
4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene has a molecular weight of 287.20 g/mol, XLogP of 4.01, 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-(2-methylbutoxy)benzene is sourced from PubChem (CID 62103662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).