1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene

C15H14Br2O2 — CID 12062736

IUPAC1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
SMILESCOc1cc(CBr)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C15H14Br2O2/c1-18-14-7-12(9-16)13(17)8-15(14)19-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyHHYLHSWRJNEKRY-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.93
Rot. Bonds5

About 1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene

1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene (PubChem CID 12062736) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
PubChem CID12062736
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
SMILESCOc1cc(CBr)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C15H14Br2O2/c1-18-14-7-12(9-16)13(17)8-15(14)19-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyHHYLHSWRJNEKRY-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.93
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-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene
CID 126540380
1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine
CID 126483906
(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium
CID 7454835
2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538313
2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 66534458
1-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3369905
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]adamantan-2-amine
CID 66533818
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 66534366
ethyl (E)-4-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)but-2-enoate
CID 71713736
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene?
The IUPAC name of 1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene (CID 12062736) is 1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene is COc1cc(CBr)c(Br)cc1OCc1ccccc1.
What is the InChIKey of 1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene?
The InChIKey is HHYLHSWRJNEKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-18-14-7-12(9-16)13(17)8-15(14)19-10-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene?
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene has a molecular weight of 386.08 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene is sourced from PubChem (CID 12062736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).