ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate

C19H24O5 — CID 174718709

IUPACethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate
SMILESCOC(=O)CC(OCc1ccccc1)c1ccccc1.OCCO
InChIInChI=1S/C17H18O3.C2H6O2/c1-19-17(18)12-16(15-10-6-3-7-11-15)20-13-14-8-4-2-5-9-14;3-1-2-4/h2-11,16H,12-13H2,1H3;3-4H,1-2H2
InChIKeyFWTKTQUYVZASFG-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.48
Rot. Bonds7

About ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate

ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate (PubChem CID 174718709) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate.

Molecular Properties

Compound Nameethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate
PubChem CID174718709
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Nameethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate
SMILESCOC(=O)CC(OCc1ccccc1)c1ccccc1.OCCO
InChIInChI=1S/C17H18O3.C2H6O2/c1-19-17(18)12-16(15-10-6-3-7-11-15)20-13-14-8-4-2-5-9-14;3-1-2-4/h2-11,16H,12-13H2,1H3;3-4H,1-2H2
InChIKeyFWTKTQUYVZASFG-UHFFFAOYSA-N
XLogP2.48
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate 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

methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate
CID 10946388
ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate
CID 143560170
methyl (3S,4R)-3-hydroxy-4-phenylmethoxypentanoate
CID 22215013
methyl 4-bromo-3-phenylmethoxybutanoate
CID 23256163
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969
3-[4-(1-oxo-1-phenylmethoxypropan-2-yl)phenyl]-3-phenylmethoxypropanoic acid
CID 142632550
methyl 3-(4-phenylmethoxyphenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate
CID 143068532
methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 102059602
methyl (5S,6S)-5-hydroxy-3-oxo-6-phenylmethoxydecanoate
CID 14992256
3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid
CID 91360158
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate?
The IUPAC name of ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate (CID 174718709) is ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate.
What is the SMILES notation for ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate?
The canonical SMILES for ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate is COC(=O)CC(OCc1ccccc1)c1ccccc1.OCCO.
What is the InChIKey of ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate?
The InChIKey is FWTKTQUYVZASFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3.C2H6O2/c1-19-17(18)12-16(15-10-6-3-7-11-15)20-13-14-8-4-2-5-9-14;3-1-2-4/h2-11,16H,12-13H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate?
ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate has a molecular weight of 332.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate is sourced from PubChem (CID 174718709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).