biphenylen-1-yl hydrogen carbonate

C13H8O3 — CID 174719796

IUPACbiphenylen-1-yl hydrogen carbonate
SMILESO=C(O)Oc1cccc2c1-c1ccccc1-2
InChIInChI=1S/C13H8O3/c14-13(15)16-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H,(H,14,15)
InChIKeyDYXTUZBZQLKFPX-UHFFFAOYSA-N
MW212.20 g/mol
LogP3.39
Rot. Bonds1

About biphenylen-1-yl hydrogen carbonate

biphenylen-1-yl hydrogen carbonate (PubChem CID 174719796) has the molecular formula C13H8O3 and a molecular weight of 212.20 g/mol. Its IUPAC name is biphenylen-1-yl hydrogen carbonate.

Molecular Properties

Compound Namebiphenylen-1-yl hydrogen carbonate
PubChem CID174719796
Molecular FormulaC13H8O3
Molecular Weight212.20 g/mol
Exact Mass212.05
IUPAC Namebiphenylen-1-yl hydrogen carbonate
SMILESO=C(O)Oc1cccc2c1-c1ccccc1-2
InChIInChI=1S/C13H8O3/c14-13(15)16-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H,(H,14,15)
InChIKeyDYXTUZBZQLKFPX-UHFFFAOYSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate
CID 151328847
CID 173408230
CID 173408230
(3-bromo-2-phenylphenyl) hydrogen carbonate
CID 54141570
1-phosphorosooxybiphenylene
CID 87351923
(9-oxofluoren-1-yl)oxymethanethioic S-acid
CID 142695295
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
methyl (9-oxofluoren-4-yl) carbonate
CID 67416838
[3-(2-tert-butylphenyl)-2-methylphenyl] hydrogen carbonate
CID 151172342
methyl 2-(2-tert-butylphenyl)-3-carboxyoxybenzoate
CID 67766878
(2-phenyl-3-tritylphenyl) hydrogen carbonate
CID 66925239
[2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate
CID 150346527
[4-(4-carboxyoxynaphthalen-1-yl)naphthalen-1-yl] hydrogen carbonate
CID 70395721

Frequently Asked Questions

What is the IUPAC name of biphenylen-1-yl hydrogen carbonate?
The IUPAC name of biphenylen-1-yl hydrogen carbonate (CID 174719796) is biphenylen-1-yl hydrogen carbonate.
What is the SMILES notation for biphenylen-1-yl hydrogen carbonate?
The canonical SMILES for biphenylen-1-yl hydrogen carbonate is O=C(O)Oc1cccc2c1-c1ccccc1-2.
What is the InChIKey of biphenylen-1-yl hydrogen carbonate?
The InChIKey is DYXTUZBZQLKFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O3/c14-13(15)16-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H,(H,14,15).
What are the key properties of biphenylen-1-yl hydrogen carbonate?
biphenylen-1-yl hydrogen carbonate has a molecular weight of 212.20 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylen-1-yl hydrogen carbonate is sourced from PubChem (CID 174719796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).