(4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate

C19H14O4 — CID 2752530

IUPAC(4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(-c2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C19H14O4/c1-12(2)19(21)23-18-16(20)14-10-6-7-11-15(14)22-17(18)13-8-4-3-5-9-13/h3-11H,1H2,2H3
InChIKeyAVZDSUNGEIEGNS-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.94
Rot. Bonds3

About (4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate

(4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate (PubChem CID 2752530) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is (4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate
PubChem CID2752530
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name(4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(-c2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C19H14O4/c1-12(2)19(21)23-18-16(20)14-10-6-7-11-15(14)22-17(18)13-8-4-3-5-9-13/h3-11H,1H2,2H3
InChIKeyAVZDSUNGEIEGNS-UHFFFAOYSA-N
XLogP3.94
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate (CID 2752530) is (4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(-c2ccccc2)oc2ccccc2c1=O.
What is the InChIKey of (4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate?
The InChIKey is AVZDSUNGEIEGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-12(2)19(21)23-18-16(20)14-10-6-7-11-15(14)22-17(18)13-8-4-3-5-9-13/h3-11H,1H2,2H3.
What are the key properties of (4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate?
(4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate has a molecular weight of 306.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 2752530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).