(Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one

C20H20O3 — CID 170154355

IUPAC(Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one
SMILESC/C=C(\C=C/CC)C(=O)c1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/C20H20O3/c1-3-5-6-15(4-2)20(22)16-7-11-18(12-8-16)23-19-13-9-17(21)10-14-19/h4-14,21H,3H2,1-2H3/b6-5-,15-4+
InChIKeySDSOWWRFPQJVIN-LFZRQRCSSA-N
MW308.38 g/mol
LogP5.28
Rot. Bonds6

About (Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one

(Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one (PubChem CID 170154355) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one
PubChem CID170154355
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one
SMILESC/C=C(\C=C/CC)C(=O)c1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/C20H20O3/c1-3-5-6-15(4-2)20(22)16-7-11-18(12-8-16)23-19-13-9-17(21)10-14-19/h4-14,21H,3H2,1-2H3/b6-5-,15-4+
InChIKeySDSOWWRFPQJVIN-LFZRQRCSSA-N
XLogP5.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one?
The IUPAC name of (Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one (CID 170154355) is (Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one.
What is the SMILES notation for (Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one?
The canonical SMILES for (Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one is C/C=C(\C=C/CC)C(=O)c1ccc(Oc2ccc(O)cc2)cc1.
What is the InChIKey of (Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one?
The InChIKey is SDSOWWRFPQJVIN-LFZRQRCSSA-N. The full InChI is InChI=1S/C20H20O3/c1-3-5-6-15(4-2)20(22)16-7-11-18(12-8-16)23-19-13-9-17(21)10-14-19/h4-14,21H,3H2,1-2H3/b6-5-,15-4+.
What are the key properties of (Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one?
(Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one has a molecular weight of 308.38 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-1-[4-(4-hydroxyphenoxy)phenyl]hex-3-en-1-one is sourced from PubChem (CID 170154355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).