(2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol

C12H10Br2O2 — CID 81473673

IUPAC(2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol
SMILESCc1cc(Br)c(C(O)c2ccco2)cc1Br
InChIInChI=1S/C12H10Br2O2/c1-7-5-10(14)8(6-9(7)13)12(15)11-3-2-4-16-11/h2-6,12,15H,1H3
InChIKeyPTPIMXGTQQVBOD-UHFFFAOYSA-N
MW346.02 g/mol
LogP4.19
Rot. Bonds2

About (2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol

(2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol (PubChem CID 81473673) has the molecular formula C12H10Br2O2 and a molecular weight of 346.02 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol
PubChem CID81473673
Molecular FormulaC12H10Br2O2
Molecular Weight346.02 g/mol
Exact Mass343.90
IUPAC Name(2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol
SMILESCc1cc(Br)c(C(O)c2ccco2)cc1Br
InChIInChI=1S/C12H10Br2O2/c1-7-5-10(14)8(6-9(7)13)12(15)11-3-2-4-16-11/h2-6,12,15H,1H3
InChIKeyPTPIMXGTQQVBOD-UHFFFAOYSA-N
XLogP4.19
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.02
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
CID 65434718
1-(2,5-dibromo-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 81474055
(2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol
CID 81473148
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(furan-2-yl)methanol
CID 61087648
(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol
CID 65278798
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107098922
(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol
CID 81473865
(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol
CID 81474094
(2,5-dibromo-4-methylphenyl)-(2,5-dichlorophenyl)methanol
CID 81472697
(3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 81473543
furan-2-yl-(2,3,4,5,6-pentamethylphenyl)methanol
CID 61099242

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol (CID 81473673) is (2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol is Cc1cc(Br)c(C(O)c2ccco2)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol?
The InChIKey is PTPIMXGTQQVBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O2/c1-7-5-10(14)8(6-9(7)13)12(15)11-3-2-4-16-11/h2-6,12,15H,1H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol?
(2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol has a molecular weight of 346.02 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol is sourced from PubChem (CID 81473673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).