(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol

C16H17BrO4 — CID 105131581

IUPAC(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1ccc(Br)c(C(O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C16H17BrO4/c1-19-10-7-8-12(17)11(9-10)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9,16,18H,1-3H3
InChIKeyVNCNTJJVTICGBJ-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.56
Rot. Bonds5

About (2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol

(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol (PubChem CID 105131581) has the molecular formula C16H17BrO4 and a molecular weight of 353.21 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
PubChem CID105131581
Molecular FormulaC16H17BrO4
Molecular Weight353.21 g/mol
Exact Mass352.03
IUPAC Name(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1ccc(Br)c(C(O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C16H17BrO4/c1-19-10-7-8-12(17)11(9-10)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9,16,18H,1-3H3
InChIKeyVNCNTJJVTICGBJ-UHFFFAOYSA-N
XLogP3.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106648491
(2,5-dimethoxyphenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 65433281
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561
1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
CID 104707975
2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene
CID 63434919
(3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 106941240
(4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 116809674
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(2-fluoro-6-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65433478
(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 105131480

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol (CID 105131581) is (2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol is COc1ccc(Br)c(C(O)c2c(OC)cccc2OC)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol?
The InChIKey is VNCNTJJVTICGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO4/c1-19-10-7-8-12(17)11(9-10)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9,16,18H,1-3H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol?
(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol has a molecular weight of 353.21 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 105131581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).