1-benzofuran;toluene

C15H14O — CID 162139528

IUPAC1-benzofuran;toluene
SMILESCc1ccccc1.c1ccc2occc2c1
InChIInChI=1S/C8H6O.C7H8/c1-2-4-8-7(3-1)5-6-9-8;1-7-5-3-2-4-6-7/h1-6H;2-6H,1H3
InChIKeyZJSYNMSYSYISBK-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.43
Rot. Bonds

About 1-benzofuran;toluene

1-benzofuran;toluene (PubChem CID 162139528) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-benzofuran;toluene.

Molecular Properties

Compound Name1-benzofuran;toluene
PubChem CID162139528
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1-benzofuran;toluene
SMILESCc1ccccc1.c1ccc2occc2c1
InChIInChI=1S/C8H6O.C7H8/c1-2-4-8-7(3-1)5-6-9-8;1-7-5-3-2-4-6-7/h1-6H;2-6H,1H3
InChIKeyZJSYNMSYSYISBK-UHFFFAOYSA-N
XLogP4.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;1-benzofuran;methane
CID 161455380
6-methyl-1-benzofuran;toluene
CID 156726353
1-benzofuran;bromobenzene
CID 160964237
1-benzofuran;1-chloro-4-phenylbenzene
CID 175596576
1-benzofuran;carbon monoxide;chromium
CID 134899025
1-benzofuran;piperazine
CID 68691578
1-benzofuran;2-benzothiophene
CID 158166060
1-benzofuran;oxaldehydic acid
CID 20511979
1-benzofuran;6-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene
CID 21488052
1-benzofuran;sulfamic acid
CID 70525210
3-tritio-1-benzofuran
CID 140580560
bis(1-benzofuran);naphthalen-1-ol
CID 175560201

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;toluene?
The IUPAC name of 1-benzofuran;toluene (CID 162139528) is 1-benzofuran;toluene.
What is the SMILES notation for 1-benzofuran;toluene?
The canonical SMILES for 1-benzofuran;toluene is Cc1ccccc1.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;toluene?
The InChIKey is ZJSYNMSYSYISBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C7H8/c1-2-4-8-7(3-1)5-6-9-8;1-7-5-3-2-4-6-7/h1-6H;2-6H,1H3.
What are the key properties of 1-benzofuran;toluene?
1-benzofuran;toluene has a molecular weight of 210.28 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;toluene is sourced from PubChem (CID 162139528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).