(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol

C18H17BrO2 — CID 114727481

IUPAC(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3cc(C)c(Br)c(C)c3)cc2c1
InChIInChI=1S/C18H17BrO2/c1-10-4-5-15-13(6-10)9-16(21-15)18(20)14-7-11(2)17(19)12(3)8-14/h4-9,18,20H,1-3H3
InChIKeyPODYIRQMIJQHFO-UHFFFAOYSA-N
MW345.24 g/mol
LogP5.20
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol

(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114727481) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID114727481
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3cc(C)c(Br)c(C)c3)cc2c1
InChIInChI=1S/C18H17BrO2/c1-10-4-5-15-13(6-10)9-16(21-15)18(20)14-7-11(2)17(19)12(3)8-14/h4-9,18,20H,1-3H3
InChIKeyPODYIRQMIJQHFO-UHFFFAOYSA-N
XLogP5.20
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.24
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
furan-3-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723617
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 102829575
(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 106884110
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
3-methyl-1-(5-methyl-1-benzofuran-2-yl)but-2-en-1-ol
CID 105110231

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (CID 114727481) is (4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is Cc1ccc2oc(C(O)c3cc(C)c(Br)c(C)c3)cc2c1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is PODYIRQMIJQHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO2/c1-10-4-5-15-13(6-10)9-16(21-15)18(20)14-7-11(2)17(19)12(3)8-14/h4-9,18,20H,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 345.24 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114727481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).