(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one

C16H14O2 — CID 25021886

IUPAC(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
SMILESCOc1ccccc1/C=C\C(=O)c1ccccc1
InChIInChI=1S/C16H14O2/c1-18-16-10-6-5-9-14(16)11-12-15(17)13-7-3-2-4-8-13/h2-12H,1H3/b12-11-
InChIKeyZWTRSTWJBWJEFR-QXMHVHEDSA-N
MW238.29 g/mol
LogP3.59
Rot. Bonds4

About (Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one

(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one (PubChem CID 25021886) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
PubChem CID25021886
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
SMILESCOc1ccccc1/C=C\C(=O)c1ccccc1
InChIInChI=1S/C16H14O2/c1-18-16-10-6-5-9-14(16)11-12-15(17)13-7-3-2-4-8-13/h2-12H,1H3/b12-11-
InChIKeyZWTRSTWJBWJEFR-QXMHVHEDSA-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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Related Compounds

3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2,6-dimethoxybenzoate
CID 3498257
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-methoxybenzoate
CID 5088439
N-[4-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 4143798
[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
CID 102475466
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 3,4,5-trimethoxybenzoate
CID 5089760
1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078
2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9448707
1-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
(1E,6E)-5-hydroxy-1,7-bis(2-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 153275178
3-(2-methoxy-5-methylsulfonylphenyl)-1-phenylprop-2-en-1-one
CID 54356724

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one (CID 25021886) is (Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one is COc1ccccc1/C=C\C(=O)c1ccccc1.
What is the InChIKey of (Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is ZWTRSTWJBWJEFR-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H14O2/c1-18-16-10-6-5-9-14(16)11-12-15(17)13-7-3-2-4-8-13/h2-12H,1H3/b12-11-.
What are the key properties of (Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one?
(Z)-3-(2-methoxyphenyl)-1-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 (Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 25021886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).