1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone

C16H14O6 — CID 517920

IUPAC1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone
SMILESO=C(c1ccc(-c2ccc(C(=O)C(O)O)cc2)cc1)C(O)O
InChIInChI=1S/C16H14O6/c17-13(15(19)20)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18)16(21)22/h1-8,15-16,19-22H
InChIKeyDDPNUFITOMENNU-UHFFFAOYSA-N
MW302.28 g/mol
LogP0.34
Rot. Bonds5

About 1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone

1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone (PubChem CID 517920) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone.

Molecular Properties

Compound Name1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone
PubChem CID517920
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone
SMILESO=C(c1ccc(-c2ccc(C(=O)C(O)O)cc2)cc1)C(O)O
InChIInChI=1S/C16H14O6/c17-13(15(19)20)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18)16(21)22/h1-8,15-16,19-22H
InChIKeyDDPNUFITOMENNU-UHFFFAOYSA-N
XLogP0.34
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone?
The IUPAC name of 1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone (CID 517920) is 1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone.
What is the SMILES notation for 1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone?
The canonical SMILES for 1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone is O=C(c1ccc(-c2ccc(C(=O)C(O)O)cc2)cc1)C(O)O.
What is the InChIKey of 1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone?
The InChIKey is DDPNUFITOMENNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c17-13(15(19)20)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18)16(21)22/h1-8,15-16,19-22H.
What are the key properties of 1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone?
1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone has a molecular weight of 302.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,2-dihydroxyacetyl)phenyl]phenyl]-2,2-dihydroxyethanone is sourced from PubChem (CID 517920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).