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

C13H12Br2O4 — CID 63941832

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol
SMILESCOc1cc(Br)c(C(O)c2occc2Br)cc1OC
InChIInChI=1S/C13H12Br2O4/c1-17-10-5-7(9(15)6-11(10)18-2)12(16)13-8(14)3-4-19-13/h3-6,12,16H,1-2H3
InChIKeyFXTTVTFZMJHIBH-UHFFFAOYSA-N
MW392.04 g/mol
LogP3.90
Rot. Bonds4

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

(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol (PubChem CID 63941832) has the molecular formula C13H12Br2O4 and a molecular weight of 392.04 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol
PubChem CID63941832
Molecular FormulaC13H12Br2O4
Molecular Weight392.04 g/mol
Exact Mass389.91
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol
SMILESCOc1cc(Br)c(C(O)c2occc2Br)cc1OC
InChIInChI=1S/C13H12Br2O4/c1-17-10-5-7(9(15)6-11(10)18-2)12(16)13-8(14)3-4-19-13/h3-6,12,16H,1-2H3
InChIKeyFXTTVTFZMJHIBH-UHFFFAOYSA-N
XLogP3.90
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.04
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromofuran-2-yl)-(5-bromo-2-methoxyphenyl)methanol
CID 63941437
(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61088712
1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol
CID 63942827
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
(3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol
CID 63941239
(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol
CID 61088323
3-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylfuran
CID 61096737
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
CID 61086660
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 61087950
(2-bromo-4,5-dimethoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 61087207
(3-bromofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63941244
(3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol
CID 115800715

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol (CID 63941832) is (2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol is COc1cc(Br)c(C(O)c2occc2Br)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol?
The InChIKey is FXTTVTFZMJHIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2O4/c1-17-10-5-7(9(15)6-11(10)18-2)12(16)13-8(14)3-4-19-13/h3-6,12,16H,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol?
(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol has a molecular weight of 392.04 g/mol, XLogP of 3.90, 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)-(3-bromofuran-2-yl)methanol is sourced from PubChem (CID 63941832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).