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

C18H19BrO4 — CID 15127298

IUPAC2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane
SMILESCOc1cc(OCc2ccccc2)c(Br)c(C2OCCCO2)c1
InChIInChI=1S/C18H19BrO4/c1-20-14-10-15(18-21-8-5-9-22-18)17(19)16(11-14)23-12-13-6-3-2-4-7-13/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3
InChIKeyLIZDTAUXTUJFJG-UHFFFAOYSA-N
MW379.25 g/mol
LogP4.47
Rot. Bonds5

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

2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane (PubChem CID 15127298) has the molecular formula C18H19BrO4 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane
PubChem CID15127298
Molecular FormulaC18H19BrO4
Molecular Weight379.25 g/mol
Exact Mass378.05
IUPAC Name2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane
SMILESCOc1cc(OCc2ccccc2)c(Br)c(C2OCCCO2)c1
InChIInChI=1S/C18H19BrO4/c1-20-14-10-15(18-21-8-5-9-22-18)17(19)16(11-14)23-12-13-6-3-2-4-7-13/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3
InChIKeyLIZDTAUXTUJFJG-UHFFFAOYSA-N
XLogP4.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane
CID 164893025
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
2-bromo-5-(1,3-dioxan-2-yl)-3-methoxy-4-methyl-6-phenylmethoxybenzaldehyde
CID 11464310
benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate
CID 169175352
4-[2-(1,3-dioxan-2-yl)-6-phenylmethoxybenzoyl]benzoic acid
CID 11004285
4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol
CID 57425044
2,5-dimethoxy-3-phenylmethoxyaniline
CID 168869511
3-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid
CID 169175415
2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
CID 14378759
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
(4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 139636777
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane?
The IUPAC name of 2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane (CID 15127298) is 2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane.
What is the SMILES notation for 2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane?
The canonical SMILES for 2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane is COc1cc(OCc2ccccc2)c(Br)c(C2OCCCO2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane?
The InChIKey is LIZDTAUXTUJFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO4/c1-20-14-10-15(18-21-8-5-9-22-18)17(19)16(11-14)23-12-13-6-3-2-4-7-13/h2-4,6-7,10-11,18H,5,8-9,12H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane?
2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane has a molecular weight of 379.25 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane is sourced from PubChem (CID 15127298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).