[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone

C15H14O4 — CID 139905658

IUPAC[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
SMILESCC(O)(O)Oc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C15H14O4/c1-15(17,18)19-13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10,17-18H,1H3
InChIKeyPGKGVWDJKKKNEU-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.95
Rot. Bonds4

About [2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone

[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone (PubChem CID 139905658) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is [2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
PubChem CID139905658
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
SMILESCC(O)(O)Oc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C15H14O4/c1-15(17,18)19-13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10,17-18H,1H3
InChIKeyPGKGVWDJKKKNEU-UHFFFAOYSA-N
XLogP1.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
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

[2-[3-methyl-2-(prop-2-enylamino)but-3-en-2-yl]oxyphenyl]-phenylmethanone
CID 90219522
phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone
CID 67804020
[2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone
CID 19821213
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[2-(2-hydroxypropan-2-yl)phenyl]-phenylmethanone
CID 15254692
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone
CID 13127036
phenyl-(2-propoxyphenyl)methanone
CID 15556308
[2-(4-tert-butylbenzoyl)phenyl] acetate
CID 24722885
phenyl-(2-prop-2-ynoxyphenyl)methanone
CID 90928602
(2-benzoylphenyl) (2S)-2-aminopropanoate
CID 67465428
2,2-dimethylpropane;diphenylmethanone
CID 159191976

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone?
The IUPAC name of [2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone (CID 139905658) is [2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone?
The canonical SMILES for [2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone is CC(O)(O)Oc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone?
The InChIKey is PGKGVWDJKKKNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-15(17,18)19-13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10,17-18H,1H3.
What are the key properties of [2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone?
[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone has a molecular weight of 258.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 139905658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).