[4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate

C20H20O4 — CID 100944603

IUPAC[4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(C)(OC)C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20O4/c1-14(2)19(22)24-17-12-10-16(11-13-17)20(3,23-4)18(21)15-8-6-5-7-9-15/h5-13H,1H2,2-4H3
InChIKeyQWHMVCZEUAJLMN-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.91
Rot. Bonds6

About [4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate

[4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate (PubChem CID 100944603) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is [4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate
PubChem CID100944603
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name[4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(C)(OC)C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20O4/c1-14(2)19(22)24-17-12-10-16(11-13-17)20(3,23-4)18(21)15-8-6-5-7-9-15/h5-13H,1H2,2-4H3
InChIKeyQWHMVCZEUAJLMN-UHFFFAOYSA-N
XLogP3.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.91
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-[4-[2-methoxy-2-[4-(2-methylprop-2-enoyloxy)phenyl]propanoyl]phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 159160095
[4-[2-(4-prop-1-en-2-yloxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 170064878
[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenoxy]phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 68830864
[4-(1-methoxy-2-oxo-2-phenylethyl)phenyl] 2-methylprop-2-enoate
CID 100944604
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate;[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 70129293
[4-[2-[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]-1,1-dimethoxy-2-oxoethyl]phenyl] 2-methylprop-2-enoate
CID 138517299
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 70479424
[4-[4-(2-methylprop-2-enoyloxy)phenoxy]phenyl]-diphenylsulfanium
CID 154009554
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate (CID 100944603) is [4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C(C)(OC)C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate?
The InChIKey is QWHMVCZEUAJLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-14(2)19(22)24-17-12-10-16(11-13-17)20(3,23-4)18(21)15-8-6-5-7-9-15/h5-13H,1H2,2-4H3.
What are the key properties of [4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate?
[4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate has a molecular weight of 324.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 100944603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).