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

C13H17BrO4 — CID 65350705

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)C1COCCO1
InChIInChI=1S/C13H17BrO4/c1-16-12-3-2-10(14)6-9(12)7-11(15)13-8-17-4-5-18-13/h2-3,6,11,13,15H,4-5,7-8H2,1H3
InChIKeySNPGUOAHGRBIBC-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.78
Rot. Bonds4

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

2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol (PubChem CID 65350705) has the molecular formula C13H17BrO4 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol
PubChem CID65350705
Molecular FormulaC13H17BrO4
Molecular Weight317.18 g/mol
Exact Mass316.03
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)C1COCCO1
InChIInChI=1S/C13H17BrO4/c1-16-12-3-2-10(14)6-9(12)7-11(15)13-8-17-4-5-18-13/h2-3,6,11,13,15H,4-5,7-8H2,1H3
InChIKeySNPGUOAHGRBIBC-UHFFFAOYSA-N
XLogP1.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol with MolForge

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Related Compounds

(5-bromo-2-methoxyphenyl)-(1,4-dioxan-2-yl)methanol
CID 62803125
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779325
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352823
1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol
CID 103169906
1-(5-bromo-2-methoxyphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 115779296
2-(3-bromo-4-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65352974
1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol
CID 115779341
N-[1-(1,4-dioxan-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 65352285
1-(1,4-dioxan-2-yl)-2-(4-ethylphenyl)ethanol
CID 65350862
1-(5-bromo-2-methoxyphenyl)-4-methylpentane-2,3-diol
CID 103456639

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol (CID 65350705) is 2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol is COc1ccc(Br)cc1CC(O)C1COCCO1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol?
The InChIKey is SNPGUOAHGRBIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO4/c1-16-12-3-2-10(14)6-9(12)7-11(15)13-8-17-4-5-18-13/h2-3,6,11,13,15H,4-5,7-8H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol?
2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol has a molecular weight of 317.18 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanol is sourced from PubChem (CID 65350705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).