benzene;ethane;furan

C12H16O — CID 145406264

IUPACbenzene;ethane;furan
SMILESCC.c1ccccc1.c1ccoc1
InChIInChI=1S/C6H6.C4H4O.C2H6/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2/h1-6H;1-4H;1-2H3
InChIKeyLPYHRTQZMJMICC-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.99
Rot. Bonds

About benzene;ethane;furan

benzene;ethane;furan (PubChem CID 145406264) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is benzene;ethane;furan.

Molecular Properties

Compound Namebenzene;ethane;furan
PubChem CID145406264
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Namebenzene;ethane;furan
SMILESCC.c1ccccc1.c1ccoc1
InChIInChI=1S/C6H6.C4H4O.C2H6/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2/h1-6H;1-4H;1-2H3
InChIKeyLPYHRTQZMJMICC-UHFFFAOYSA-N
XLogP3.99
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;furan?
The IUPAC name of benzene;ethane;furan (CID 145406264) is benzene;ethane;furan.
What is the SMILES notation for benzene;ethane;furan?
The canonical SMILES for benzene;ethane;furan is CC.c1ccccc1.c1ccoc1.
What is the InChIKey of benzene;ethane;furan?
The InChIKey is LPYHRTQZMJMICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H4O.C2H6/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-2/h1-6H;1-4H;1-2H3.
What are the key properties of benzene;ethane;furan?
benzene;ethane;furan has a molecular weight of 176.26 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;furan is sourced from PubChem (CID 145406264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).