biphenylene;2-methylprop-2-enoic acid

C16H14O2 — CID 174864090

IUPACbiphenylene;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C4H6O2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-3(2)4(5)6/h1-8H;1H2,2H3,(H,5,6)
InChIKeyVNPXIMNVSZWKJG-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.98
Rot. Bonds1

About biphenylene;2-methylprop-2-enoic acid

biphenylene;2-methylprop-2-enoic acid (PubChem CID 174864090) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is biphenylene;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namebiphenylene;2-methylprop-2-enoic acid
PubChem CID174864090
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Namebiphenylene;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C4H6O2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-3(2)4(5)6/h1-8H;1H2,2H3,(H,5,6)
InChIKeyVNPXIMNVSZWKJG-UHFFFAOYSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-azulen-1-ylazulene;2-methylprop-2-enoic acid
CID 175754594
2-methylprop-2-enoic acid;phenol;hydrofluoride
CID 174940878
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
benzene;methanol;bis(2-methylprop-2-enoic acid)
CID 175511919
biphenylene;propan-2-one
CID 174440223
3,4-dihydro-2,5-benzodioxocine-1,6-dione;bis(2-methylprop-2-enoic acid)
CID 158481229
2-methylprop-2-enoic acid;triphenylphosphane
CID 173320900
2-methylprop-2-enoic acid;7-thiabicyclo[4.1.0]hepta-1,3,5-triene
CID 88725230
boric acid;2-methylprop-2-enoic acid;phenol
CID 175548516
benzoyl benzoate;2-methylprop-2-enoic acid
CID 87155251
CID 159564409
CID 159564409
2-methylprop-2-enoic acid;trifluoromethylbenzene
CID 175145896

Frequently Asked Questions

What is the IUPAC name of biphenylene;2-methylprop-2-enoic acid?
The IUPAC name of biphenylene;2-methylprop-2-enoic acid (CID 174864090) is biphenylene;2-methylprop-2-enoic acid.
What is the SMILES notation for biphenylene;2-methylprop-2-enoic acid?
The canonical SMILES for biphenylene;2-methylprop-2-enoic acid is C=C(C)C(=O)O.c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of biphenylene;2-methylprop-2-enoic acid?
The InChIKey is VNPXIMNVSZWKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.C4H6O2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-3(2)4(5)6/h1-8H;1H2,2H3,(H,5,6).
What are the key properties of biphenylene;2-methylprop-2-enoic acid?
biphenylene;2-methylprop-2-enoic acid has a molecular weight of 238.29 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene;2-methylprop-2-enoic acid is sourced from PubChem (CID 174864090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).