2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone

C16H16O3 — CID 5273909

IUPAC2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone
SMILESO=C(c1ccc(CCc2ccccc2)cc1)C(O)O
InChIInChI=1S/C16H16O3/c17-15(16(18)19)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11,16,18-19H,6-7H2
InChIKeyVXZPTMKGRFWDGX-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.97
Rot. Bonds5

About 2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone

2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone (PubChem CID 5273909) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone.

Molecular Properties

Compound Name2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone
PubChem CID5273909
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone
SMILESO=C(c1ccc(CCc2ccccc2)cc1)C(O)O
InChIInChI=1S/C16H16O3/c17-15(16(18)19)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11,16,18-19H,6-7H2
InChIKeyVXZPTMKGRFWDGX-UHFFFAOYSA-N
XLogP1.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone?
The IUPAC name of 2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone (CID 5273909) is 2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone.
What is the SMILES notation for 2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone?
The canonical SMILES for 2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone is O=C(c1ccc(CCc2ccccc2)cc1)C(O)O.
What is the InChIKey of 2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone?
The InChIKey is VXZPTMKGRFWDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-15(16(18)19)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11,16,18-19H,6-7H2.
What are the key properties of 2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone?
2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone has a molecular weight of 256.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone is sourced from PubChem (CID 5273909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).