acetic acid;1,1'-biphenyl;ethane

C16H20O2 — CID 91464981

IUPACacetic acid;1,1'-biphenyl;ethane
SMILESCC.CC(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H4O2.C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(3)4;1-2/h1-10H;1H3,(H,3,4);1-2H3
InChIKeyVXPWMNVAKHQCSV-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.47
Rot. Bonds1

About acetic acid;1,1'-biphenyl;ethane

acetic acid;1,1'-biphenyl;ethane (PubChem CID 91464981) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is acetic acid;1,1'-biphenyl;ethane.

Molecular Properties

Compound Nameacetic acid;1,1'-biphenyl;ethane
PubChem CID91464981
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Nameacetic acid;1,1'-biphenyl;ethane
SMILESCC.CC(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H4O2.C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(3)4;1-2/h1-10H;1H3,(H,3,4);1-2H3
InChIKeyVXPWMNVAKHQCSV-UHFFFAOYSA-N
XLogP4.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70522083
1,1'-biphenyl;ethane;bis(1-phenylethanone)
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CID 160591801
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
acetic acid;benzene;ethane;toluene
CID 90764441
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CID 23514328
acetic acid;ethane;toluene;yttrium
CID 158410874

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,1'-biphenyl;ethane?
The IUPAC name of acetic acid;1,1'-biphenyl;ethane (CID 91464981) is acetic acid;1,1'-biphenyl;ethane.
What is the SMILES notation for acetic acid;1,1'-biphenyl;ethane?
The canonical SMILES for acetic acid;1,1'-biphenyl;ethane is CC.CC(=O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of acetic acid;1,1'-biphenyl;ethane?
The InChIKey is VXPWMNVAKHQCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C2H4O2.C2H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(3)4;1-2/h1-10H;1H3,(H,3,4);1-2H3.
What are the key properties of acetic acid;1,1'-biphenyl;ethane?
acetic acid;1,1'-biphenyl;ethane has a molecular weight of 244.33 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,1'-biphenyl;ethane is sourced from PubChem (CID 91464981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).