(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol

C14H19BrO4 — CID 79762979

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
SMILESCOc1cc(Br)c(C(O)C2CCOC2C)cc1OC
InChIInChI=1S/C14H19BrO4/c1-8-9(4-5-19-8)14(16)10-6-12(17-2)13(18-3)7-11(10)15/h6-9,14,16H,4-5H2,1-3H3
InChIKeyXWQTVZUXZRNTQF-UHFFFAOYSA-N
MW331.21 g/mol
LogP2.92
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol

(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol (PubChem CID 79762979) has the molecular formula C14H19BrO4 and a molecular weight of 331.21 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
PubChem CID79762979
Molecular FormulaC14H19BrO4
Molecular Weight331.21 g/mol
Exact Mass330.05
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
SMILESCOc1cc(Br)c(C(O)C2CCOC2C)cc1OC
InChIInChI=1S/C14H19BrO4/c1-8-9(4-5-19-8)14(16)10-6-12(17-2)13(18-3)7-11(10)15/h6-9,14,16H,4-5H2,1-3H3
InChIKeyXWQTVZUXZRNTQF-UHFFFAOYSA-N
XLogP2.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763153
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763146
(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763340
(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol
CID 61087765
(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 79763064
(4-bromo-2,5-difluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 79763696
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 79762717
3-[chloro-(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79763359
(2,4-dimethylphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762886
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
(1R,2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)-1-cyclobutylethanol;hydrochloride
CID 171266633
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115792974

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol (CID 79762979) is (2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol is COc1cc(Br)c(C(O)C2CCOC2C)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol?
The InChIKey is XWQTVZUXZRNTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO4/c1-8-9(4-5-19-8)14(16)10-6-12(17-2)13(18-3)7-11(10)15/h6-9,14,16H,4-5H2,1-3H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol?
(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol has a molecular weight of 331.21 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol is sourced from PubChem (CID 79762979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).