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

C14H15BrO4 — CID 61088712

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
SMILESCOc1cc(Br)c(C(O)c2ccoc2C)cc1OC
InChIInChI=1S/C14H15BrO4/c1-8-9(4-5-19-8)14(16)10-6-12(17-2)13(18-3)7-11(10)15/h4-7,14,16H,1-3H3
InChIKeyVKQPLKUGRKLURU-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.45
Rot. Bonds4

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

(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol (PubChem CID 61088712) has the molecular formula C14H15BrO4 and a molecular weight of 327.17 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
PubChem CID61088712
Molecular FormulaC14H15BrO4
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
SMILESCOc1cc(Br)c(C(O)c2ccoc2C)cc1OC
InChIInChI=1S/C14H15BrO4/c1-8-9(4-5-19-8)14(16)10-6-12(17-2)13(18-3)7-11(10)15/h4-7,14,16H,1-3H3
InChIKeyVKQPLKUGRKLURU-UHFFFAOYSA-N
XLogP3.45
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran
CID 61096737
(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol
CID 63941832
(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61100656
(2,4-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61086779
(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61087207
(4-methoxy-3-methylphenyl)-(2-methylfuran-3-yl)methanol
CID 61082456
(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81479752
5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62352175
(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol
CID 61088323
(4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol
CID 104789594
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
CID 61086660
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol (CID 61088712) is (2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol is COc1cc(Br)c(C(O)c2ccoc2C)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol?
The InChIKey is VKQPLKUGRKLURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO4/c1-8-9(4-5-19-8)14(16)10-6-12(17-2)13(18-3)7-11(10)15/h4-7,14,16H,1-3H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol?
(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol has a molecular weight of 327.17 g/mol, XLogP of 3.45, 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-methylfuran-3-yl)methanol is sourced from PubChem (CID 61088712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).