2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol

C18H16O3 — CID 174796863

IUPAC2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol
SMILESCc1c(O)oc2ccccc12.Cc1cc2ccccc2o1
InChIInChI=1S/C9H8O2.C9H8O/c1-6-7-4-2-3-5-8(7)11-9(6)10;1-7-6-8-4-2-3-5-9(8)10-7/h2-5,10H,1H3;2-6H,1H3
InChIKeyLCDZMSFGNUQSPQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP5.19
Rot. Bonds

About 2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol

2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol (PubChem CID 174796863) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol.

Molecular Properties

Compound Name2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol
PubChem CID174796863
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol
SMILESCc1c(O)oc2ccccc12.Cc1cc2ccccc2o1
InChIInChI=1S/C9H8O2.C9H8O/c1-6-7-4-2-3-5-8(7)11-9(6)10;1-7-6-8-4-2-3-5-9(8)10-7/h2-5,10H,1H3;2-6H,1H3
InChIKeyLCDZMSFGNUQSPQ-UHFFFAOYSA-N
XLogP5.19
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.32
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-but-2-ene;ethane;2-methyl-1-benzofuran
CID 143997020
ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene
CID 156745259
1-benzofuran-2,3-diol
CID 22994886
methanamine;2-methylchromen-4-one
CID 91311034
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
3-methyl-2-naphthalen-2-yl-1-benzofuran
CID 54024232
2-fluoro-3-methyl-1-benzofuran
CID 45090481
2-(3-methyl-1-benzofuran-2-yl)propan-2-ol
CID 116987203
4-hydroxy-3-methylchromen-2-one
CID 54687016
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
3-methyl-1-benzofuran-2-carbothioamide
CID 83591316
ethane;2-methyl-1-benzofuran-6-amine
CID 168913967

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol?
The IUPAC name of 2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol (CID 174796863) is 2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol.
What is the SMILES notation for 2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol?
The canonical SMILES for 2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol is Cc1c(O)oc2ccccc12.Cc1cc2ccccc2o1.
What is the InChIKey of 2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol?
The InChIKey is LCDZMSFGNUQSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.C9H8O/c1-6-7-4-2-3-5-8(7)11-9(6)10;1-7-6-8-4-2-3-5-9(8)10-7/h2-5,10H,1H3;2-6H,1H3.
What are the key properties of 2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol?
2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol has a molecular weight of 280.32 g/mol, XLogP of 5.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-benzofuran;3-methyl-1-benzofuran-2-ol is sourced from PubChem (CID 174796863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).