(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one

C18H18O2 — CID 92913105

IUPAC(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCCOc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18O2/c1-3-20-17-11-6-15(7-12-17)8-13-18(19)16-9-4-14(2)5-10-16/h4-13H,3H2,1-2H3/b13-8-
InChIKeyVBJALZMAELXFMU-JYRVWZFOSA-N
MW266.34 g/mol
LogP4.29
Rot. Bonds5

About (Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one

(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one (PubChem CID 92913105) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
PubChem CID92913105
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCCOc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18O2/c1-3-20-17-11-6-15(7-12-17)8-13-18(19)16-9-4-14(2)5-10-16/h4-13H,3H2,1-2H3/b13-8-
InChIKeyVBJALZMAELXFMU-JYRVWZFOSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.29
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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Related Compounds

(E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 22971976
3-(4-bromophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 2880500
3-(4-methylphenyl)-1-(4-octadecoxyphenyl)prop-2-en-1-one
CID 70379262
3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 2880876
(Z)-3-[4-(diethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54604270
(E)-3-(4-methylphenyl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]prop-2-en-1-one
CID 132555327
(E)-1-(3,4-diethoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 6146865
[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 177461738
[4-[3-(4-ethoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
CID 3529372
ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate
CID 11727535
[4-[3-(4-methylphenyl)prop-2-enoyl]phenyl] 4-methylbenzoate
CID 5088278
(E)-3-(3-chloro-4-hydroxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 52771907

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one (CID 92913105) is (Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one is CCOc1ccc(/C=C\C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is VBJALZMAELXFMU-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-20-17-11-6-15(7-12-17)8-13-18(19)16-9-4-14(2)5-10-16/h4-13H,3H2,1-2H3/b13-8-.
What are the key properties of (Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one?
(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 92913105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).