[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate

C18H16O4 — CID 139968498

IUPAC[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2OC)cc1
InChIInChI=1S/C18H16O4/c1-12(2)18(20)22-14-10-8-13(9-11-14)17(19)15-6-4-5-7-16(15)21-3/h4-11H,1H2,2-3H3
InChIKeyKHJYDJMLOLKTAV-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.41
Rot. Bonds5

About [4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate

[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate (PubChem CID 139968498) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is [4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
PubChem CID139968498
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2OC)cc1
InChIInChI=1S/C18H16O4/c1-12(2)18(20)22-14-10-8-13(9-11-14)17(19)15-6-4-5-7-16(15)21-3/h4-11H,1H2,2-3H3
InChIKeyKHJYDJMLOLKTAV-UHFFFAOYSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 67394366
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968489
(2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
CID 114962795
(4-carbamoylphenyl) 2-methylprop-2-enoate
CID 53440858
ethenyl [2-(4-methoxybenzoyl)phenyl] carbonate
CID 18547359
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate (CID 139968498) is [4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C(=O)c2ccccc2OC)cc1.
What is the InChIKey of [4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is KHJYDJMLOLKTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-12(2)18(20)22-14-10-8-13(9-11-14)17(19)15-6-4-5-7-16(15)21-3/h4-11H,1H2,2-3H3.
What are the key properties of [4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate?
[4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 296.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxybenzoyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139968498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).