ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate

C16H28O5 — CID 67501931

IUPACethane-1,2-diol;ethoxyethane;propan-2-yl benzoate
SMILESCC(C)OC(=O)c1ccccc1.CCOCC.OCCO
InChIInChI=1S/C10H12O2.C4H10O.C2H6O2/c1-8(2)12-10(11)9-6-4-3-5-7-9;1-3-5-4-2;3-1-2-4/h3-8H,1-2H3;3-4H2,1-2H3;3-4H,1-2H2
InChIKeyJURCJWMBPVLMNX-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.27
Rot. Bonds5

About ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate

ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate (PubChem CID 67501931) has the molecular formula C16H28O5 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxyethane;propan-2-yl benzoate
PubChem CID67501931
Molecular FormulaC16H28O5
Molecular Weight300.40 g/mol
Exact Mass300.19
IUPAC Nameethane-1,2-diol;ethoxyethane;propan-2-yl benzoate
SMILESCC(C)OC(=O)c1ccccc1.CCOCC.OCCO
InChIInChI=1S/C10H12O2.C4H10O.C2H6O2/c1-8(2)12-10(11)9-6-4-3-5-7-9;1-3-5-4-2;3-1-2-4/h3-8H,1-2H3;3-4H2,1-2H3;3-4H,1-2H2
InChIKeyJURCJWMBPVLMNX-UHFFFAOYSA-N
XLogP2.27
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
[(1R,2S)-2-benzoyloxy-1,2-diethoxyethyl] benzoate
CID 92529627
1-hydroxypentan-3-yl benzoate
CID 66896563
propan-2-yl 4-ethylbenzoate
CID 583760
[(2S)-pentan-2-yl] benzoate
CID 101019298
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate
CID 175094889
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
ethoxyethane;methyl 2-phenylprop-2-enoate
CID 174753576
propan-2-yl 4-phenyldiazenylbenzoate
CID 89049072

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate?
The IUPAC name of ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate (CID 67501931) is ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate.
What is the SMILES notation for ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate?
The canonical SMILES for ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate is CC(C)OC(=O)c1ccccc1.CCOCC.OCCO.
What is the InChIKey of ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate?
The InChIKey is JURCJWMBPVLMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C4H10O.C2H6O2/c1-8(2)12-10(11)9-6-4-3-5-7-9;1-3-5-4-2;3-1-2-4/h3-8H,1-2H3;3-4H2,1-2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate?
ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate has a molecular weight of 300.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate is sourced from PubChem (CID 67501931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).