butane-2,3-diol;diphenylmethanone

C17H20O3 — CID 175235923

IUPACbutane-2,3-diol;diphenylmethanone
SMILESCC(O)C(C)O.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C4H10O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3(5)4(2)6/h1-10H;3-6H,1-2H3
InChIKeyOGSRHUALSRAJDX-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.67
Rot. Bonds3

About butane-2,3-diol;diphenylmethanone

butane-2,3-diol;diphenylmethanone (PubChem CID 175235923) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is butane-2,3-diol;diphenylmethanone.

Molecular Properties

Compound Namebutane-2,3-diol;diphenylmethanone
PubChem CID175235923
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Namebutane-2,3-diol;diphenylmethanone
SMILESCC(O)C(C)O.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C4H10O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3(5)4(2)6/h1-10H;3-6H,1-2H3
InChIKeyOGSRHUALSRAJDX-UHFFFAOYSA-N
XLogP2.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane-2,3-diol;diphenylmethanone?
The IUPAC name of butane-2,3-diol;diphenylmethanone (CID 175235923) is butane-2,3-diol;diphenylmethanone.
What is the SMILES notation for butane-2,3-diol;diphenylmethanone?
The canonical SMILES for butane-2,3-diol;diphenylmethanone is CC(O)C(C)O.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of butane-2,3-diol;diphenylmethanone?
The InChIKey is OGSRHUALSRAJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C4H10O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3(5)4(2)6/h1-10H;3-6H,1-2H3.
What are the key properties of butane-2,3-diol;diphenylmethanone?
butane-2,3-diol;diphenylmethanone has a molecular weight of 272.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-2,3-diol;diphenylmethanone is sourced from PubChem (CID 175235923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).