5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol

C10H11BrO4 — CID 11832611

IUPAC5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol
SMILESCOc1cc(C2OCCO2)c(Br)cc1O
InChIInChI=1S/C10H11BrO4/c1-13-9-4-6(7(11)5-8(9)12)10-14-2-3-15-10/h4-5,10,12H,2-3H2,1H3
InChIKeyUJKVJZBVSQRKTR-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.21
Rot. Bonds2

About 5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol

5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol (PubChem CID 11832611) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is 5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol
PubChem CID11832611
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Name5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol
SMILESCOc1cc(C2OCCO2)c(Br)cc1O
InChIInChI=1S/C10H11BrO4/c1-13-9-4-6(7(11)5-8(9)12)10-14-2-3-15-10/h4-5,10,12H,2-3H2,1H3
InChIKeyUJKVJZBVSQRKTR-UHFFFAOYSA-N
XLogP2.21
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol?
The IUPAC name of 5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol (CID 11832611) is 5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol.
What is the SMILES notation for 5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol?
The canonical SMILES for 5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol is COc1cc(C2OCCO2)c(Br)cc1O.
What is the InChIKey of 5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol?
The InChIKey is UJKVJZBVSQRKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-13-9-4-6(7(11)5-8(9)12)10-14-2-3-15-10/h4-5,10,12H,2-3H2,1H3.
What are the key properties of 5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol?
5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol has a molecular weight of 275.10 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1,3-dioxolan-2-yl)-2-methoxyphenol is sourced from PubChem (CID 11832611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).