[2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate

C18H18O3 — CID 54032362

IUPAC[2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C18H18O3/c1-2-18(20)21-13-16(19)12-15-10-6-7-11-17(15)14-8-4-3-5-9-14/h2-11,16,19H,1,12-13H2
InChIKeyLGMOGMPRPBUFMX-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.99
Rot. Bonds6

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

[2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate (PubChem CID 54032362) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate
PubChem CID54032362
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name[2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C18H18O3/c1-2-18(20)21-13-16(19)12-15-10-6-7-11-17(15)14-8-4-3-5-9-14/h2-11,16,19H,1,12-13H2
InChIKeyLGMOGMPRPBUFMX-UHFFFAOYSA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate 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

[(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate
CID 129405839
3-hydroxy-4-(2-phenylphenyl)butanoic acid
CID 53424527
3-(2-phenylphenyl)propane-1,2-diol
CID 154118569
2-hydroxy-3-(2-phenylphenyl)propanoic acid
CID 150667818
[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
[3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate
CID 150618914
(E)-5-hydroxy-2-methyl-6-(2-phenylphenyl)hex-2-enoic acid
CID 70116548
(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 91047100
(2-hydroxy-3-prop-2-enoyloxypropyl) anthracene-9-carboxylate
CID 54261077
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
[(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
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;phthalic acid
CID 174553100

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate?
The IUPAC name of [2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate (CID 54032362) is [2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate?
The canonical SMILES for [2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate is C=CC(=O)OCC(O)Cc1ccccc1-c1ccccc1.
What is the InChIKey of [2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate?
The InChIKey is LGMOGMPRPBUFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-18(20)21-13-16(19)12-15-10-6-7-11-17(15)14-8-4-3-5-9-14/h2-11,16,19H,1,12-13H2.
What are the key properties of [2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate?
[2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-phenylphenyl)propyl] prop-2-enoate is sourced from PubChem (CID 54032362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).