(2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate

C15H14O5 — CID 67932037

IUPAC(2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate
SMILESO=C(O)OC(c1ccccc1)(c1ccccc1)C(O)O
InChIInChI=1S/C15H14O5/c16-13(17)15(20-14(18)19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,16-17H,(H,18,19)
InChIKeyAJMKQYFCCHHWSI-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.94
Rot. Bonds4

About (2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate

(2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate (PubChem CID 67932037) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate.

Molecular Properties

Compound Name(2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate
PubChem CID67932037
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate
SMILESO=C(O)OC(c1ccccc1)(c1ccccc1)C(O)O
InChIInChI=1S/C15H14O5/c16-13(17)15(20-14(18)19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,16-17H,(H,18,19)
InChIKeyAJMKQYFCCHHWSI-UHFFFAOYSA-N
XLogP1.94
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(2-methyl-1,1-diphenylpropyl) carbonate
CID 70626235
(2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate
CID 71365812
(3-methoxy-2-methyl-3-phenylbutan-2-yl) hydrogen carbonate
CID 90300640
(3-ethoxy-2-phenylpentan-2-yl) hydrogen carbonate
CID 90300567
ditrityl 2-chloropropanedioate
CID 139617895
2,2-dibromo-2-phenylacetyl chloride
CID 56990356
3-methoxy-2-methoxycarbonyl-3,3-diphenylpropanoic acid
CID 163212872
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
CID 122444887
2-(3-tert-butylphenyl)propan-2-yl hydrogen carbonate
CID 67162008
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
ditrityl but-2-enedioate
CID 54115376

Frequently Asked Questions

What is the IUPAC name of (2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate?
The IUPAC name of (2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate (CID 67932037) is (2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate.
What is the SMILES notation for (2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate?
The canonical SMILES for (2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate is O=C(O)OC(c1ccccc1)(c1ccccc1)C(O)O.
What is the InChIKey of (2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate?
The InChIKey is AJMKQYFCCHHWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c16-13(17)15(20-14(18)19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,16-17H,(H,18,19).
What are the key properties of (2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate?
(2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate has a molecular weight of 274.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate is sourced from PubChem (CID 67932037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).