1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate

C18H20O5 — CID 129318698

IUPAC1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate
SMILESCC(C(=O)OC(CO)CO)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H20O5/c1-13(18(21)23-17(11-19)12-20)14-6-5-9-16(10-14)22-15-7-3-2-4-8-15/h2-10,13,17,19-20H,11-12H2,1H3
InChIKeyXTLJWWLGYMCYGL-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.48
Rot. Bonds7

About 1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate

1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate (PubChem CID 129318698) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate
PubChem CID129318698
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate
SMILESCC(C(=O)OC(CO)CO)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H20O5/c1-13(18(21)23-17(11-19)12-20)14-6-5-9-16(10-14)22-15-7-3-2-4-8-15/h2-10,13,17,19-20H,11-12H2,1H3
InChIKeyXTLJWWLGYMCYGL-UHFFFAOYSA-N
XLogP2.48
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

dimethylamino 2-(3-phenoxyphenyl)propanoate
CID 174905214
N-ethoxy-2-(3-phenoxyphenyl)propanamide
CID 46190731
N,N-dimethyl-2-(3-phenoxyphenyl)propanamide
CID 21328452
calcium;tris(2-(3-phenoxyphenyl)propanoate);dihydrate
CID 51371414
2-(3-phenoxyphenyl)butanoic acid
CID 69314878
3,3,3-trideuterio-2-(3-phenoxyphenyl)(313C)propanoic acid
CID 76974283
methyl 2-[3-(4-tritiophenoxy)phenyl]propanoate
CID 162424494
1-(3-phenoxyphenyl)ethanol
CID 12882419
[cyano-(3-phenoxyphenyl)methyl] 2-naphthalen-1-ylpropanoate
CID 70636929
pyrrolidin-2-ylmethyl 2-(3-phenoxyphenyl)propanoate;dihydrochloride
CID 176653789
S-[2-(dimethylamino)ethyl] 2-(3-phenoxyphenyl)propanethioate
CID 24993881
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate?
The IUPAC name of 1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate (CID 129318698) is 1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate.
What is the SMILES notation for 1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate?
The canonical SMILES for 1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate is CC(C(=O)OC(CO)CO)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate?
The InChIKey is XTLJWWLGYMCYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-13(18(21)23-17(11-19)12-20)14-6-5-9-16(10-14)22-15-7-3-2-4-8-15/h2-10,13,17,19-20H,11-12H2,1H3.
What are the key properties of 1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate?
1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate has a molecular weight of 316.35 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 1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate is sourced from PubChem (CID 129318698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).