1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate

C18H20O4 — CID 56950597

IUPAC1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate
SMILESO=C(Cc1ccc(Cc2ccccc2)cc1)OC(CO)CO
InChIInChI=1S/C18H20O4/c19-12-17(13-20)22-18(21)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17,19-20H,10-13H2
InChIKeyIWKDZKAHQXMICO-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.72
Rot. Bonds7

About 1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate

1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate (PubChem CID 56950597) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate
PubChem CID56950597
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate
SMILESO=C(Cc1ccc(Cc2ccccc2)cc1)OC(CO)CO
InChIInChI=1S/C18H20O4/c19-12-17(13-20)22-18(21)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17,19-20H,10-13H2
InChIKeyIWKDZKAHQXMICO-UHFFFAOYSA-N
XLogP1.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
1-phenylbutan-2-yl 2-phenylacetate
CID 86053968
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
1-bromoethyl 2-phenylacetate
CID 22386448
1-(furan-2-yl)ethyl 2-phenylacetate
CID 14353399
2-(4-benzylphenyl)acetyl chloride
CID 18187385
(2-hydroxyphenyl) 2-phenylacetate
CID 91699546
(2S)-2-(2-phenylacetyl)oxybutanoic acid
CID 124585457
1-(dimethylamino)ethyl 2-phenylacetate
CID 88661320
1-bromopropan-2-yl 2-phenylacetate
CID 102297805
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
phenyl 2-phenylacetate;zinc
CID 70522084

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate?
The IUPAC name of 1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate (CID 56950597) is 1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate.
What is the SMILES notation for 1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate?
The canonical SMILES for 1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate is O=C(Cc1ccc(Cc2ccccc2)cc1)OC(CO)CO.
What is the InChIKey of 1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate?
The InChIKey is IWKDZKAHQXMICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c19-12-17(13-20)22-18(21)11-16-8-6-15(7-9-16)10-14-4-2-1-3-5-14/h1-9,17,19-20H,10-13H2.
What are the key properties of 1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate?
1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate has a molecular weight of 300.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypropan-2-yl 2-(4-benzylphenyl)acetate is sourced from PubChem (CID 56950597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).