2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane

C17H17BrO4 — CID 164893025

IUPAC2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane
SMILESCOc1cc(Br)cc(C2OCCO2)c1OCc1ccccc1
InChIInChI=1S/C17H17BrO4/c1-19-15-10-13(18)9-14(17-20-7-8-21-17)16(15)22-11-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyZAFLEFBMJBSYKK-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.08
Rot. Bonds5

About 2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane

2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane (PubChem CID 164893025) has the molecular formula C17H17BrO4 and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane
PubChem CID164893025
Molecular FormulaC17H17BrO4
Molecular Weight365.22 g/mol
Exact Mass364.03
IUPAC Name2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane
SMILESCOc1cc(Br)cc(C2OCCO2)c1OCc1ccccc1
InChIInChI=1S/C17H17BrO4/c1-19-15-10-13(18)9-14(17-20-7-8-21-17)16(15)22-11-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyZAFLEFBMJBSYKK-UHFFFAOYSA-N
XLogP4.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene
CID 146277743
2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane
CID 15127298
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 17156891
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine
CID 119124540
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 17290255
benzyl 4-(5-bromo-2,3-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845828
6-bromo-8-methoxy-4-phenylmethoxyquinoline
CID 178032922
3-[(4-bromo-2,6-dimethoxyphenoxy)methyl]benzoic acid
CID 22681001

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane (CID 164893025) is 2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane is COc1cc(Br)cc(C2OCCO2)c1OCc1ccccc1.
What is the InChIKey of 2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane?
The InChIKey is ZAFLEFBMJBSYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO4/c1-19-15-10-13(18)9-14(17-20-7-8-21-17)16(15)22-11-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8,11H2,1H3.
What are the key properties of 2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane?
2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane has a molecular weight of 365.22 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 164893025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).