biphenylene;ethenyl hydrogen carbonate

C15H12O3 — CID 67591083

IUPACbiphenylene;ethenyl hydrogen carbonate
SMILESC=COC(=O)O.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C3H4O3/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-2-6-3(4)5/h1-8H;2H,1H2,(H,4,5)
InChIKeySLWIZVDQHCATFO-UHFFFAOYSA-N
MW240.26 g/mol
LogP4.16
Rot. Bonds1

About biphenylene;ethenyl hydrogen carbonate

biphenylene;ethenyl hydrogen carbonate (PubChem CID 67591083) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is biphenylene;ethenyl hydrogen carbonate.

Molecular Properties

Compound Namebiphenylene;ethenyl hydrogen carbonate
PubChem CID67591083
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Namebiphenylene;ethenyl hydrogen carbonate
SMILESC=COC(=O)O.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C3H4O3/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-2-6-3(4)5/h1-8H;2H,1H2,(H,4,5)
InChIKeySLWIZVDQHCATFO-UHFFFAOYSA-N
XLogP4.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethenyl hydrogen carbonate;methane
CID 175034349
ethenyl hydrogen carbonate;(E)-3-phenylprop-2-enenitrile
CID 174594677
ethenyl benzoate
CID 158178912
ethenyl 2,2,2-triphenylacetate
CID 102123428
CID 69279397
CID 69279397
ethenyl benzoate;2-methylprop-1-ene
CID 174957134
acetonitrile;ethenyl hydrogen carbonate
CID 174594655
ethenyl (9-oxofluoren-2-yl) carbonate
CID 18547364
ethenyl 2-phenylpropanoate
CID 11116578
ethenol;2-ethenoxycarbonylbenzoic acid
CID 174432530
1-azulen-1-ylazulene;prop-2-enoic acid
CID 175754625
chloroethene;ethenyl acetate;phenol
CID 162207546

Frequently Asked Questions

What is the IUPAC name of biphenylene;ethenyl hydrogen carbonate?
The IUPAC name of biphenylene;ethenyl hydrogen carbonate (CID 67591083) is biphenylene;ethenyl hydrogen carbonate.
What is the SMILES notation for biphenylene;ethenyl hydrogen carbonate?
The canonical SMILES for biphenylene;ethenyl hydrogen carbonate is C=COC(=O)O.c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of biphenylene;ethenyl hydrogen carbonate?
The InChIKey is SLWIZVDQHCATFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.C3H4O3/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-2-6-3(4)5/h1-8H;2H,1H2,(H,4,5).
What are the key properties of biphenylene;ethenyl hydrogen carbonate?
biphenylene;ethenyl hydrogen carbonate has a molecular weight of 240.26 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene;ethenyl hydrogen carbonate is sourced from PubChem (CID 67591083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).