2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one

C20H16O2 — CID 145057403

IUPAC2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one
SMILESCC#Cc1cccc2oc(CC)c(-c3ccccc3)c(=O)c12
InChIInChI=1S/C20H16O2/c1-3-9-14-12-8-13-17-19(14)20(21)18(16(4-2)22-17)15-10-6-5-7-11-15/h5-8,10-13H,4H2,1-2H3
InChIKeyDPWOCBGAQUONQI-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.39
Rot. Bonds2

About 2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one

2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one (PubChem CID 145057403) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one.

Molecular Properties

Compound Name2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one
PubChem CID145057403
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one
SMILESCC#Cc1cccc2oc(CC)c(-c3ccccc3)c(=O)c12
InChIInChI=1S/C20H16O2/c1-3-9-14-12-8-13-17-19(14)20(21)18(16(4-2)22-17)15-10-6-5-7-11-15/h5-8,10-13H,4H2,1-2H3
InChIKeyDPWOCBGAQUONQI-UHFFFAOYSA-N
XLogP4.39
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-phenyl-1-benzofuran-4-ol
CID 163428165
2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one
CID 71465690
7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one
CID 145057435
2-ethyl-3-(4-fluorophenyl)chromen-4-one
CID 53234762
2-ethyl-5-fluoro-3-(2-fluorophenyl)chromen-4-one
CID 89154232
6-ethyl-11-phenylindeno[1,2-c]chromene
CID 135026669
2,5-diacetyl-3-phenylchromen-4-one
CID 67115420
3-bromo-2,5-diethylchromen-4-one
CID 145057358
2-methoxy-5-methyl-3-phenylchromen-4-one
CID 141349160
2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one
CID 12006528
2-(2-ethyl-3-phenyl-1-benzofuran-7-yl)acetic acid
CID 3016357
2-ethyl-4-oxochromene-3-carbonitrile
CID 102579893

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one?
The IUPAC name of 2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one (CID 145057403) is 2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one.
What is the SMILES notation for 2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one?
The canonical SMILES for 2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one is CC#Cc1cccc2oc(CC)c(-c3ccccc3)c(=O)c12.
What is the InChIKey of 2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one?
The InChIKey is DPWOCBGAQUONQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-3-9-14-12-8-13-17-19(14)20(21)18(16(4-2)22-17)15-10-6-5-7-11-15/h5-8,10-13H,4H2,1-2H3.
What are the key properties of 2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one?
2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one has a molecular weight of 288.35 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one is sourced from PubChem (CID 145057403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).