(E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one

C19H18O3 — CID 18178961

IUPAC(E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one
SMILESC=CC(OC)Oc1ccccc1/C=C/C(=O)c1ccccc1
InChIInChI=1S/C19H18O3/c1-3-19(21-2)22-18-12-8-7-11-16(18)13-14-17(20)15-9-5-4-6-10-15/h3-14,19H,1H2,2H3/b14-13+
InChIKeySZZFKSWTUZINNY-BUHFOSPRSA-N
MW294.35 g/mol
LogP4.12
Rot. Bonds7

About (E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one

(E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one (PubChem CID 18178961) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one
PubChem CID18178961
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one
SMILESC=CC(OC)Oc1ccccc1/C=C/C(=O)c1ccccc1
InChIInChI=1S/C19H18O3/c1-3-19(21-2)22-18-12-8-7-11-16(18)13-14-17(20)15-9-5-4-6-10-15/h3-14,19H,1H2,2H3/b14-13+
InChIKeySZZFKSWTUZINNY-BUHFOSPRSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
(E)-3-[2-(difluoromethoxy)phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 6039064
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2,6-dimethoxybenzoate
CID 3498257
[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
CID 102475466
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995
7-oxabicyclo[2.2.1]hepta-1,3,5-triene;[2-(3-oxo-3-phenylprop-1-enyl)phenyl] acetate
CID 175221703
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-methoxybenzoate
CID 5088439
(E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 51424205
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 3,4,5-trimethoxybenzoate
CID 5089760

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one (CID 18178961) is (E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one is C=CC(OC)Oc1ccccc1/C=C/C(=O)c1ccccc1.
What is the InChIKey of (E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one?
The InChIKey is SZZFKSWTUZINNY-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-19(21-2)22-18-12-8-7-11-16(18)13-14-17(20)15-9-5-4-6-10-15/h3-14,19H,1H2,2H3/b14-13+.
What are the key properties of (E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one?
(E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 294.35 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(1-methoxyprop-2-enoxy)phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 18178961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).