methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate

C15H20O3 — CID 15406519

IUPACmethyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate
SMILESCOC(=O)/C(C)=C\[C@@H](C)c1cccc(C)c1OC
InChIInChI=1S/C15H20O3/c1-10-7-6-8-13(14(10)17-4)11(2)9-12(3)15(16)18-5/h6-9,11H,1-5H3/b12-9-/t11-/m1/s1
InChIKeyTTWAOONHGWGENX-ZGSOTFDTSA-N
MW248.32 g/mol
LogP3.23
Rot. Bonds4

About methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate

methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate (PubChem CID 15406519) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate
PubChem CID15406519
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate
SMILESCOC(=O)/C(C)=C\[C@@H](C)c1cccc(C)c1OC
InChIInChI=1S/C15H20O3/c1-10-7-6-8-13(14(10)17-4)11(2)9-12(3)15(16)18-5/h6-9,11H,1-5H3/b12-9-/t11-/m1/s1
InChIKeyTTWAOONHGWGENX-ZGSOTFDTSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate?
The IUPAC name of methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate (CID 15406519) is methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate.
What is the SMILES notation for methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate?
The canonical SMILES for methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate is COC(=O)/C(C)=C\[C@@H](C)c1cccc(C)c1OC.
What is the InChIKey of methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate?
The InChIKey is TTWAOONHGWGENX-ZGSOTFDTSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-7-6-8-13(14(10)17-4)11(2)9-12(3)15(16)18-5/h6-9,11H,1-5H3/b12-9-/t11-/m1/s1.
What are the key properties of methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate?
methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate has a molecular weight of 248.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,4R)-4-(2-methoxy-3-methylphenyl)-2-methylpent-2-enoate is sourced from PubChem (CID 15406519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).