[(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate

C18H18O4 — CID 129405839

IUPAC[(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate
SMILESC=CC(=O)OC[C@H](O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C18H18O4/c1-2-18(20)22-13-15(19)12-21-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h2-11,15,19H,1,12-13H2/t15-/m1/s1
InChIKeyCDFFKURPFGASGW-OAHLLOKOSA-N
MW298.34 g/mol
LogP2.82
Rot. Bonds7

About [(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate

[(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate (PubChem CID 129405839) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate
PubChem CID129405839
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate
SMILESC=CC(=O)OC[C@H](O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C18H18O4/c1-2-18(20)22-13-15(19)12-21-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h2-11,15,19H,1,12-13H2/t15-/m1/s1
InChIKeyCDFFKURPFGASGW-OAHLLOKOSA-N
XLogP2.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-3-phenylphenyl]propan-2-yl]-2-phenylphenoxy]propyl] prop-2-enoate
CID 139769576
bis[2-hydroxy-3-(2-phenylphenoxy)propyl] benzene-1,2-dicarboxylate
CID 142703345
[2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate
CID 54032362
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
(2R)-1-chloro-3-(2-phenylphenoxy)propan-2-ol
CID 124571669
(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 91047100
[(2S)-2-hydroxy-3-[4-[9-[4-[(2S)-2-hydroxy-3-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
CID 98048093
[3-(4-fluorophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 139559416
(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate
CID 58021551
3-(hydroxymethyl)-2-methylidene-4-(2-phenylphenoxy)butanoic acid
CID 118471959
(2-hydroxy-3-phenoxypropyl) prop-2-enoate;2-(phenoxymethyl)oxirane;propane
CID 91150847
4-hydroxybutyl 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) prop-2-enoate
CID 160827387

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate?
The IUPAC name of [(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate (CID 129405839) is [(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate.
What is the SMILES notation for [(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate?
The canonical SMILES for [(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate is C=CC(=O)OC[C@H](O)COc1ccccc1-c1ccccc1.
What is the InChIKey of [(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate?
The InChIKey is CDFFKURPFGASGW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18O4/c1-2-18(20)22-13-15(19)12-21-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h2-11,15,19H,1,12-13H2/t15-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate?
[(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate has a molecular weight of 298.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate is sourced from PubChem (CID 129405839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).