(2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate

C17H16O3 — CID 171485584

IUPAC(2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate
SMILESCOC(=Cc1ccccc1)C(=O)Oc1ccccc1C
InChIInChI=1S/C17H16O3/c1-13-8-6-7-11-15(13)20-17(18)16(19-2)12-14-9-4-3-5-10-14/h3-12H,1-2H3
InChIKeyGSXFGDXIBWALPK-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.59
Rot. Bonds4

About (2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate

(2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate (PubChem CID 171485584) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate
PubChem CID171485584
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate
SMILESCOC(=Cc1ccccc1)C(=O)Oc1ccccc1C
InChIInChI=1S/C17H16O3/c1-13-8-6-7-11-15(13)20-17(18)16(19-2)12-14-9-4-3-5-10-14/h3-12H,1-2H3
InChIKeyGSXFGDXIBWALPK-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
methyl 2-(2-methylphenoxy)but-2-enoate
CID 57165556
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
2-methoxyethyl 2-methoxy-3-phenylprop-2-enoate
CID 150649669
dimethyl (E)-2-(2-methylphenoxy)but-2-enedioate
CID 14569248
dimethyl (Z)-2-hydroxy-3-(2-methylphenoxy)but-2-enedioate
CID 54696165
(2-methylphenyl) 2-aminoprop-2-enoate
CID 174884236
(2-methylphenyl) 2-methanethioylprop-2-enoate
CID 54230018
1-O-ethyl 2-O-(2-methylphenyl) oxalate
CID 6422111
decyl 2-methoxy-3-phenylprop-2-enoate
CID 164571010
2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate
CID 174691323

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate?
The IUPAC name of (2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate (CID 171485584) is (2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate.
What is the SMILES notation for (2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate?
The canonical SMILES for (2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate is COC(=Cc1ccccc1)C(=O)Oc1ccccc1C.
What is the InChIKey of (2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate?
The InChIKey is GSXFGDXIBWALPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-13-8-6-7-11-15(13)20-17(18)16(19-2)12-14-9-4-3-5-10-14/h3-12H,1-2H3.
What are the key properties of (2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate?
(2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate is sourced from PubChem (CID 171485584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).