(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one

C16H14O2 — CID 641818

IUPAC(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
InChIKeyKJHHAPASNNVTSN-KPKJPENVSA-N
MW238.29 g/mol
LogP3.59
Rot. Bonds4

About (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one

(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one (PubChem CID 641818) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
PubChem CID641818
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
InChIKeyKJHHAPASNNVTSN-KPKJPENVSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one (CID 641818) is (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one is COc1ccc(C(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is KJHHAPASNNVTSN-KPKJPENVSA-N. The full InChI is InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+.
What are the key properties of (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one?
(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 238.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 641818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).