(4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate

C22H20O5 — CID 19207707

IUPAC(4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate
SMILESCCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C22H20O5/c1-3-12-25-19-7-5-4-6-16(19)8-11-21(23)26-17-9-10-18-15(2)13-22(24)27-20(18)14-17/h4-11,13-14H,3,12H2,1-2H3/b11-8+
InChIKeyXWLDEBAMPJORPP-DHZHZOJOSA-N
MW364.40 g/mol
LogP4.51
Rot. Bonds6

About (4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate

(4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate (PubChem CID 19207707) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is (4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate
PubChem CID19207707
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name(4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate
SMILESCCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C22H20O5/c1-3-12-25-19-7-5-4-6-16(19)8-11-21(23)26-17-9-10-18-15(2)13-22(24)27-20(18)14-17/h4-11,13-14H,3,12H2,1-2H3/b11-8+
InChIKeyXWLDEBAMPJORPP-DHZHZOJOSA-N
XLogP4.51
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-2-oxochromen-7-yl) (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoate
CID 16591387
(4-methyl-2-oxochromen-7-yl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 1181224
[4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207703
(4-methyl-2-oxochromen-7-yl) (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 19172103
(4-bromophenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207692
(4-methyl-2-oxochromen-7-yl) (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 25096975
(4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207715
(4-tert-butylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207685
(4-methyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 3293400
(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate
CID 9097847
4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one
CID 907685
(4-methyl-2-oxochromen-7-yl) 3-aminopropanoate chloride
CID 21180090

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate?
The IUPAC name of (4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate (CID 19207707) is (4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate is CCCOc1ccccc1/C=C/C(=O)Oc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of (4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate?
The InChIKey is XWLDEBAMPJORPP-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H20O5/c1-3-12-25-19-7-5-4-6-16(19)8-11-21(23)26-17-9-10-18-15(2)13-22(24)27-20(18)14-17/h4-11,13-14H,3,12H2,1-2H3/b11-8+.
What are the key properties of (4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate?
(4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate has a molecular weight of 364.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxochromen-7-yl) (E)-3-(2-propoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19207707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).