(2-methoxyphenyl) (E)-3-phenylprop-2-enoate

C16H14O3 — CID 695688

IUPAC(2-methoxyphenyl) (E)-3-phenylprop-2-enoate
SMILESCOc1ccccc1OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H14O3/c1-18-14-9-5-6-10-15(14)19-16(17)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
InChIKeySYKAZDSPTNFPJX-VAWYXSNFSA-N
MW254.28 g/mol
LogP3.31
Rot. Bonds4

About (2-methoxyphenyl) (E)-3-phenylprop-2-enoate

(2-methoxyphenyl) (E)-3-phenylprop-2-enoate (PubChem CID 695688) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (2-methoxyphenyl) (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(2-methoxyphenyl) (E)-3-phenylprop-2-enoate
PubChem CID695688
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(2-methoxyphenyl) (E)-3-phenylprop-2-enoate
SMILESCOc1ccccc1OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H14O3/c1-18-14-9-5-6-10-15(14)19-16(17)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
InChIKeySYKAZDSPTNFPJX-VAWYXSNFSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) (E)-3-phenylprop-2-enoate?
The IUPAC name of (2-methoxyphenyl) (E)-3-phenylprop-2-enoate (CID 695688) is (2-methoxyphenyl) (E)-3-phenylprop-2-enoate.
What is the SMILES notation for (2-methoxyphenyl) (E)-3-phenylprop-2-enoate?
The canonical SMILES for (2-methoxyphenyl) (E)-3-phenylprop-2-enoate is COc1ccccc1OC(=O)/C=C/c1ccccc1.
What is the InChIKey of (2-methoxyphenyl) (E)-3-phenylprop-2-enoate?
The InChIKey is SYKAZDSPTNFPJX-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H14O3/c1-18-14-9-5-6-10-15(14)19-16(17)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+.
What are the key properties of (2-methoxyphenyl) (E)-3-phenylprop-2-enoate?
(2-methoxyphenyl) (E)-3-phenylprop-2-enoate has a molecular weight of 254.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 695688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).