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

C18H18O2 — CID 114723556

IUPAC(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3cccc(C)c3C)cc2c1
InChIInChI=1S/C18H18O2/c1-11-7-8-16-14(9-11)10-17(20-16)18(19)15-6-4-5-12(2)13(15)3/h4-10,18-19H,1-3H3
InChIKeyJCYYAYJDRCSARS-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.44
Rot. Bonds2

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

(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114723556) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID114723556
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3cccc(C)c3C)cc2c1
InChIInChI=1S/C18H18O2/c1-11-7-8-16-14(9-11)10-17(20-16)18(19)15-6-4-5-12(2)13(15)3/h4-10,18-19H,1-3H3
InChIKeyJCYYAYJDRCSARS-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

(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
1-(2,3-dimethylphenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045109
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
[2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724037
(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727481
1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol
CID 107103499
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 106884110
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
(2,3-dimethylphenyl)-(5-methylfuran-2-yl)methanol
CID 63894230
furan-3-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723617

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol (CID 114723556) is (2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is Cc1ccc2oc(C(O)c3cccc(C)c3C)cc2c1.
What is the InChIKey of (2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is JCYYAYJDRCSARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-11-7-8-16-14(9-11)10-17(20-16)18(19)15-6-4-5-12(2)13(15)3/h4-10,18-19H,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol?
(2,3-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 (2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114723556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).