(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol

C13H13BrO3 — CID 61100656

IUPAC(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol
SMILESCOc1ccc(C(O)c2ccoc2C)cc1Br
InChIInChI=1S/C13H13BrO3/c1-8-10(5-6-17-8)13(15)9-3-4-12(16-2)11(14)7-9/h3-7,13,15H,1-2H3
InChIKeyYYDOMRMFZRKFNM-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.44
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol

(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol (PubChem CID 61100656) has the molecular formula C13H13BrO3 and a molecular weight of 297.15 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol
PubChem CID61100656
Molecular FormulaC13H13BrO3
Molecular Weight297.15 g/mol
Exact Mass296.00
IUPAC Name(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol
SMILESCOc1ccc(C(O)c2ccoc2C)cc1Br
InChIInChI=1S/C13H13BrO3/c1-8-10(5-6-17-8)13(15)9-3-4-12(16-2)11(14)7-9/h3-7,13,15H,1-2H3
InChIKeyYYDOMRMFZRKFNM-UHFFFAOYSA-N
XLogP3.44
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-methylphenyl)-(2-methylfuran-3-yl)methanol
CID 61082456
(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61088712
(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432477
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
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(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62511360
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302503
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol (CID 61100656) is (3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol is COc1ccc(C(O)c2ccoc2C)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol?
The InChIKey is YYDOMRMFZRKFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO3/c1-8-10(5-6-17-8)13(15)9-3-4-12(16-2)11(14)7-9/h3-7,13,15H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol?
(3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol has a molecular weight of 297.15 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2-methylfuran-3-yl)methanol is sourced from PubChem (CID 61100656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).