(2,4-diphenylphenyl) hydrogen carbonate

C19H14O3 — CID 121292233

IUPAC(2,4-diphenylphenyl) hydrogen carbonate
SMILESO=C(O)Oc1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C19H14O3/c20-19(21)22-18-12-11-16(14-7-3-1-4-8-14)13-17(18)15-9-5-2-6-10-15/h1-13H,(H,20,21)
InChIKeyTWUHNSQSJQAEOT-UHFFFAOYSA-N
MW290.32 g/mol
LogP5.08
Rot. Bonds3

About (2,4-diphenylphenyl) hydrogen carbonate

(2,4-diphenylphenyl) hydrogen carbonate (PubChem CID 121292233) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2,4-diphenylphenyl) hydrogen carbonate.

Molecular Properties

Compound Name(2,4-diphenylphenyl) hydrogen carbonate
PubChem CID121292233
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name(2,4-diphenylphenyl) hydrogen carbonate
SMILESO=C(O)Oc1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C19H14O3/c20-19(21)22-18-12-11-16(14-7-3-1-4-8-14)13-17(18)15-9-5-2-6-10-15/h1-13H,(H,20,21)
InChIKeyTWUHNSQSJQAEOT-UHFFFAOYSA-N
XLogP5.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.32
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,4-diphenylphenyl) hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-diphenylphenyl) acetate
CID 57057849
(4-methyl-2-phenylphenyl) hydrogen carbonate
CID 22141660
(4-nitro-2-phenylphenyl) hydrogen carbonate
CID 53438460
[2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate
CID 66629221
1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene
CID 90004343
[4-chloro-2-(4-methylphenyl)phenyl] hydrogen carbonate
CID 54216308
(4-hexyl-2-phenylphenyl) hydrogen carbonate
CID 66629329
[2-(4-nitrophenyl)phenyl] hydrogen carbonate
CID 54291059
diazulen-1-yl butanedioate
CID 91384946
(4-methyl-2-phenylphenyl) carbamate
CID 68986573
bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol)
CID 143426467
[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl] hydrogen carbonate
CID 151936127

Frequently Asked Questions

What is the IUPAC name of (2,4-diphenylphenyl) hydrogen carbonate?
The IUPAC name of (2,4-diphenylphenyl) hydrogen carbonate (CID 121292233) is (2,4-diphenylphenyl) hydrogen carbonate.
What is the SMILES notation for (2,4-diphenylphenyl) hydrogen carbonate?
The canonical SMILES for (2,4-diphenylphenyl) hydrogen carbonate is O=C(O)Oc1ccc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of (2,4-diphenylphenyl) hydrogen carbonate?
The InChIKey is TWUHNSQSJQAEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-19(21)22-18-12-11-16(14-7-3-1-4-8-14)13-17(18)15-9-5-2-6-10-15/h1-13H,(H,20,21).
What are the key properties of (2,4-diphenylphenyl) hydrogen carbonate?
(2,4-diphenylphenyl) hydrogen carbonate has a molecular weight of 290.32 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenylphenyl) hydrogen carbonate is sourced from PubChem (CID 121292233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).