5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene

C17H19BrO3 — CID 43516816

IUPAC5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene
SMILESCOc1cc(CBr)cc(OC)c1OCc1cccc(C)c1
InChIInChI=1S/C17H19BrO3/c1-12-5-4-6-13(7-12)11-21-17-15(19-2)8-14(10-18)9-16(17)20-3/h4-9H,10-11H2,1-3H3
InChIKeyQBMJPQQJBTYMRX-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.49
Rot. Bonds6

About 5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene

5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene (PubChem CID 43516816) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene
PubChem CID43516816
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene
SMILESCOc1cc(CBr)cc(OC)c1OCc1cccc(C)c1
InChIInChI=1S/C17H19BrO3/c1-12-5-4-6-13(7-12)11-21-17-15(19-2)8-14(10-18)9-16(17)20-3/h4-9H,10-11H2,1-3H3
InChIKeyQBMJPQQJBTYMRX-UHFFFAOYSA-N
XLogP4.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methoxy]-1,3-dimethoxy-5-methylbenzene
CID 59303411
2-[[3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid
CID 66528338
1-(bromomethyl)-3-ethoxy-2-[(3-methylphenyl)methoxy]benzene
CID 43174682
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylaniline
CID 2192356
2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine
CID 62700324
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
4-methoxy-3-[(3-methylphenyl)methoxy]aniline
CID 16792794
[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 43626842
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43423608
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene?
The IUPAC name of 5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene (CID 43516816) is 5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene.
What is the SMILES notation for 5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene?
The canonical SMILES for 5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene is COc1cc(CBr)cc(OC)c1OCc1cccc(C)c1.
What is the InChIKey of 5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene?
The InChIKey is QBMJPQQJBTYMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-12-5-4-6-13(7-12)11-21-17-15(19-2)8-14(10-18)9-16(17)20-3/h4-9H,10-11H2,1-3H3.
What are the key properties of 5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene?
5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene has a molecular weight of 351.24 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene is sourced from PubChem (CID 43516816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).