(5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol

C12H15BrO4 — CID 62803125

IUPAC(5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol
SMILESCOc1ccc(Br)cc1C(O)C1COCCO1
InChIInChI=1S/C12H15BrO4/c1-15-10-3-2-8(13)6-9(10)12(14)11-7-16-4-5-17-11/h2-3,6,11-12,14H,4-5,7H2,1H3
InChIKeyGTBXPWNIMICIPE-UHFFFAOYSA-N
MW303.15 g/mol
LogP1.91
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol

(5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol (PubChem CID 62803125) has the molecular formula C12H15BrO4 and a molecular weight of 303.15 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol
PubChem CID62803125
Molecular FormulaC12H15BrO4
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Name(5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol
SMILESCOc1ccc(Br)cc1C(O)C1COCCO1
InChIInChI=1S/C12H15BrO4/c1-15-10-3-2-8(13)6-9(10)12(14)11-7-16-4-5-17-11/h2-3,6,11-12,14H,4-5,7H2,1H3
InChIKeyGTBXPWNIMICIPE-UHFFFAOYSA-N
XLogP1.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol
CID 65350705
1,4-dioxan-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 113342471
3-[(5-bromo-2-methoxyphenyl)-chloromethyl]oxane
CID 63015273
2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]-1,4-dioxane
CID 55119715
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43480086
1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61101686
2-(3-bromo-4-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65352974
N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide
CID 55110367
1-(1,4-dioxan-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 62800276
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
CID 164892127

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol (CID 62803125) is (5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol is COc1ccc(Br)cc1C(O)C1COCCO1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol?
The InChIKey is GTBXPWNIMICIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO4/c1-15-10-3-2-8(13)6-9(10)12(14)11-7-16-4-5-17-11/h2-3,6,11-12,14H,4-5,7H2,1H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol?
(5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol has a molecular weight of 303.15 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol is sourced from PubChem (CID 62803125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).