7-ethoxy-6-ethyl-4-phenylchromen-2-one

C19H18O3 — CID 2888002

IUPAC7-ethoxy-6-ethyl-4-phenylchromen-2-one
SMILESCCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC
InChIInChI=1S/C19H18O3/c1-3-13-10-16-15(14-8-6-5-7-9-14)11-19(20)22-18(16)12-17(13)21-4-2/h5-12H,3-4H2,1-2H3
InChIKeyJBENVBUVQVMABP-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.42
Rot. Bonds4

About 7-ethoxy-6-ethyl-4-phenylchromen-2-one

7-ethoxy-6-ethyl-4-phenylchromen-2-one (PubChem CID 2888002) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-ethoxy-6-ethyl-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-ethoxy-6-ethyl-4-phenylchromen-2-one
PubChem CID2888002
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name7-ethoxy-6-ethyl-4-phenylchromen-2-one
SMILESCCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC
InChIInChI=1S/C19H18O3/c1-3-13-10-16-15(14-8-6-5-7-9-14)11-19(20)22-18(16)12-17(13)21-4-2/h5-12H,3-4H2,1-2H3
InChIKeyJBENVBUVQVMABP-UHFFFAOYSA-N
XLogP4.42
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-ethoxy-4-phenylchromen-2-one
CID 678937
2-(2-oxo-4-phenyl-6-propylchromen-7-yl)oxyacetamide
CID 166604353
2-(6-hexyl-2-oxo-4-phenylchromen-7-yl)oxyacetic acid
CID 3664205
2-(6-hexyl-2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 7150050
4-ethoxychromen-2-one
CID 688703
7-(ethylamino)-6-methyl-4-phenylchromen-2-one
CID 158924027
tert-butyl 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988856
7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one
CID 11777481
ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate
CID 154341354
N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
CID 100906391
2-(6-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 794317
6-chloro-4-ethyl-7-phenylmethoxychromen-2-one
CID 886322

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-ethyl-4-phenylchromen-2-one?
The IUPAC name of 7-ethoxy-6-ethyl-4-phenylchromen-2-one (CID 2888002) is 7-ethoxy-6-ethyl-4-phenylchromen-2-one.
What is the SMILES notation for 7-ethoxy-6-ethyl-4-phenylchromen-2-one?
The canonical SMILES for 7-ethoxy-6-ethyl-4-phenylchromen-2-one is CCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC.
What is the InChIKey of 7-ethoxy-6-ethyl-4-phenylchromen-2-one?
The InChIKey is JBENVBUVQVMABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-13-10-16-15(14-8-6-5-7-9-14)11-19(20)22-18(16)12-17(13)21-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 7-ethoxy-6-ethyl-4-phenylchromen-2-one?
7-ethoxy-6-ethyl-4-phenylchromen-2-one has a molecular weight of 294.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-ethyl-4-phenylchromen-2-one is sourced from PubChem (CID 2888002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).