5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran

C14H14OS — CID 23543547

IUPAC5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(-c3ccc(C)s3)c1)OCC2
InChIInChI=1S/C14H14OS/c1-9-7-11-5-6-15-14(11)12(8-9)13-4-3-10(2)16-13/h3-4,7-8H,5-6H2,1-2H3
InChIKeyDFESZQIFEKNQLP-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.97
Rot. Bonds1

About 5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran

5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran (PubChem CID 23543547) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran
PubChem CID23543547
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(-c3ccc(C)s3)c1)OCC2
InChIInChI=1S/C14H14OS/c1-9-7-11-5-6-15-14(11)12(8-9)13-4-3-10(2)16-13/h3-4,7-8H,5-6H2,1-2H3
InChIKeyDFESZQIFEKNQLP-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane
CID 142100880
2-methyl-5-[11-(5-methylthiophen-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophene
CID 101206627
[3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine
CID 174553963
ethane;7-fluoro-5-methyl-2,3-dihydro-1-benzofuran
CID 177214189
2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-(phenylmethoxymethyl)-1,3,4-oxadiazole
CID 166274301
5-bromo-7-[bromo-(5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543596
2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117282534
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanamine
CID 104541545
(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone
CID 114279701
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
5,8-bis(5-methylthiophen-2-yl)quinoxaline
CID 58982512

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran (CID 23543547) is 5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran is Cc1cc2c(c(-c3ccc(C)s3)c1)OCC2.
What is the InChIKey of 5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran?
The InChIKey is DFESZQIFEKNQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-9-7-11-5-6-15-14(11)12(8-9)13-4-3-10(2)16-13/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran?
5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran has a molecular weight of 230.33 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 23543547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).