(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol

C18H18O2 — CID 114724628

IUPAC(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3c(C)cccc3C)cc2c1
InChIInChI=1S/C18H18O2/c1-11-7-8-15-14(9-11)10-16(20-15)18(19)17-12(2)5-4-6-13(17)3/h4-10,18-19H,1-3H3
InChIKeyXFNMGUPKIWJXSW-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.44
Rot. Bonds2

About (2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol

(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114724628) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID114724628
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3c(C)cccc3C)cc2c1
InChIInChI=1S/C18H18O2/c1-11-7-8-15-14(9-11)10-16(20-15)18(19)17-12(2)5-4-6-13(17)3/h4-10,18-19H,1-3H3
InChIKeyXFNMGUPKIWJXSW-UHFFFAOYSA-N
XLogP4.44
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 106884110
(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727481
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
furan-3-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723617
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
1-benzothiophen-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836357
1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129184
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
(5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 114723550
[2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724037

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (CID 114724628) is (2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is Cc1ccc2oc(C(O)c3c(C)cccc3C)cc2c1.
What is the InChIKey of (2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is XFNMGUPKIWJXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-11-7-8-15-14(9-11)10-16(20-15)18(19)17-12(2)5-4-6-13(17)3/h4-10,18-19H,1-3H3.
What are the key properties of (2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 266.34 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114724628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).