1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene

C16H16BrClO3 — CID 43622745

IUPAC1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2c(Br)cc(CCl)cc2OC)cc1
InChIInChI=1S/C16H16BrClO3/c1-19-13-5-3-11(4-6-13)10-21-16-14(17)7-12(9-18)8-15(16)20-2/h3-8H,9-10H2,1-2H3
InChIKeyTUVLKIPURWVLHR-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.78
Rot. Bonds6

About 1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene

1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 43622745) has the molecular formula C16H16BrClO3 and a molecular weight of 371.66 g/mol. Its IUPAC name is 1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
PubChem CID43622745
Molecular FormulaC16H16BrClO3
Molecular Weight371.66 g/mol
Exact Mass370.00
IUPAC Name1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2c(Br)cc(CCl)cc2OC)cc1
InChIInChI=1S/C16H16BrClO3/c1-19-13-5-3-11(4-6-13)10-21-16-14(17)7-12(9-18)8-15(16)20-2/h3-8H,9-10H2,1-2H3
InChIKeyTUVLKIPURWVLHR-UHFFFAOYSA-N
XLogP4.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.78
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

1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methylphenyl)methoxy]benzene
CID 43622701
1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 28898530
4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol
CID 107745437
1-bromo-5-(chloromethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 54935509
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 4718599
1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene
CID 43622800
1,3-dibromo-5-(chloromethyl)-2-[(4-fluorophenyl)methoxy]benzene
CID 107745218
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
1-bromo-5-(chloromethyl)-2-(3-ethylsulfanylpropoxy)-3-methoxybenzene
CID 113473810
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 3546377
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
1-bromo-5-(bromomethyl)-2-[(3,4-difluorophenyl)methoxy]-3-methoxybenzene
CID 82916368

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene (CID 43622745) is 1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2c(Br)cc(CCl)cc2OC)cc1.
What is the InChIKey of 1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is TUVLKIPURWVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO3/c1-19-13-5-3-11(4-6-13)10-21-16-14(17)7-12(9-18)8-15(16)20-2/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene?
1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 371.66 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 43622745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).