benzene;1-benzofuran;methane

C15H16O — CID 161455380

IUPACbenzene;1-benzofuran;methane
SMILESC.c1ccc2occc2c1.c1ccccc1
InChIInChI=1S/C8H6O.C6H6.CH4/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;/h1-6H;1-6H;1H4
InChIKeyWBBWGEACKGOHRR-UHFFFAOYSA-N
MW212.29 g/mol
LogP4.76
Rot. Bonds

About benzene;1-benzofuran;methane

benzene;1-benzofuran;methane (PubChem CID 161455380) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is benzene;1-benzofuran;methane.

Molecular Properties

Compound Namebenzene;1-benzofuran;methane
PubChem CID161455380
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Namebenzene;1-benzofuran;methane
SMILESC.c1ccc2occc2c1.c1ccccc1
InChIInChI=1S/C8H6O.C6H6.CH4/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;/h1-6H;1-6H;1H4
InChIKeyWBBWGEACKGOHRR-UHFFFAOYSA-N
XLogP4.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;1-benzofuran;methane?
The IUPAC name of benzene;1-benzofuran;methane (CID 161455380) is benzene;1-benzofuran;methane.
What is the SMILES notation for benzene;1-benzofuran;methane?
The canonical SMILES for benzene;1-benzofuran;methane is C.c1ccc2occc2c1.c1ccccc1.
What is the InChIKey of benzene;1-benzofuran;methane?
The InChIKey is WBBWGEACKGOHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C6H6.CH4/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;/h1-6H;1-6H;1H4.
What are the key properties of benzene;1-benzofuran;methane?
benzene;1-benzofuran;methane has a molecular weight of 212.29 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-benzofuran;methane is sourced from PubChem (CID 161455380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).