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

C13H12Br2O2 — CID 81473148

IUPAC(2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol
SMILESCc1ccc(C(O)c2cc(Br)c(C)cc2Br)o1
InChIInChI=1S/C13H12Br2O2/c1-7-5-11(15)9(6-10(7)14)13(16)12-4-3-8(2)17-12/h3-6,13,16H,1-2H3
InChIKeyFSEJMWAIVMWQMQ-UHFFFAOYSA-N
MW360.05 g/mol
LogP4.50
Rot. Bonds2

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

(2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol (PubChem CID 81473148) has the molecular formula C13H12Br2O2 and a molecular weight of 360.05 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol
PubChem CID81473148
Molecular FormulaC13H12Br2O2
Molecular Weight360.05 g/mol
Exact Mass357.92
IUPAC Name(2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol
SMILESCc1ccc(C(O)c2cc(Br)c(C)cc2Br)o1
InChIInChI=1S/C13H12Br2O2/c1-7-5-11(15)9(6-10(7)14)13(16)12-4-3-8(2)17-12/h3-6,13,16H,1-2H3
InChIKeyFSEJMWAIVMWQMQ-UHFFFAOYSA-N
XLogP4.50
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromophenyl)-(5-methylfuran-2-yl)methanol
CID 61099394
(2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol
CID 81473673
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
(2,3-dimethylphenyl)-(5-methylfuran-2-yl)methanol
CID 63894230
(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
(5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol
CID 79084452
(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)-(2,4,6-trifluorophenyl)methanol
CID 81473551
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol (CID 81473148) is (2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol is Cc1ccc(C(O)c2cc(Br)c(C)cc2Br)o1.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol?
The InChIKey is FSEJMWAIVMWQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2O2/c1-7-5-11(15)9(6-10(7)14)13(16)12-4-3-8(2)17-12/h3-6,13,16H,1-2H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol?
(2,5-dibromo-4-methylphenyl)-(5-methylfuran-2-yl)methanol has a molecular weight of 360.05 g/mol, XLogP of 4.50, 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)-(5-methylfuran-2-yl)methanol is sourced from PubChem (CID 81473148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).