(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol

C13H16BrClO3 — CID 79763146

IUPAC(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)C1CCOC1C
InChIInChI=1S/C13H16BrClO3/c1-7-9(3-4-18-7)12(16)10-5-8(15)6-11(14)13(10)17-2/h5-7,9,12,16H,3-4H2,1-2H3
InChIKeyAOWHMTFDWHTAQZ-UHFFFAOYSA-N
MW335.63 g/mol
LogP3.57
Rot. Bonds3

About (3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol

(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol (PubChem CID 79763146) has the molecular formula C13H16BrClO3 and a molecular weight of 335.63 g/mol. Its IUPAC name is (3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
PubChem CID79763146
Molecular FormulaC13H16BrClO3
Molecular Weight335.63 g/mol
Exact Mass334.00
IUPAC Name(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
SMILESCOc1c(Br)cc(Cl)cc1C(O)C1CCOC1C
InChIInChI=1S/C13H16BrClO3/c1-7-9(3-4-18-7)12(16)10-5-8(15)6-11(14)13(10)17-2/h5-7,9,12,16H,3-4H2,1-2H3
InChIKeyAOWHMTFDWHTAQZ-UHFFFAOYSA-N
XLogP3.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181484
(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762979
(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
CID 61100157
(4-bromo-2,5-difluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 79763696
(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763153
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115792974
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 79762717
(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 79763064
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
CID 61100159
(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763340
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol?
The IUPAC name of (3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol (CID 79763146) is (3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol.
What is the SMILES notation for (3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol?
The canonical SMILES for (3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol is COc1c(Br)cc(Cl)cc1C(O)C1CCOC1C.
What is the InChIKey of (3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol?
The InChIKey is AOWHMTFDWHTAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClO3/c1-7-9(3-4-18-7)12(16)10-5-8(15)6-11(14)13(10)17-2/h5-7,9,12,16H,3-4H2,1-2H3.
What are the key properties of (3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol?
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol has a molecular weight of 335.63 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol is sourced from PubChem (CID 79763146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).