3-but-3-en-2-yl-2-phenylchromen-4-one

C19H16O2 — CID 102136808

IUPAC3-but-3-en-2-yl-2-phenylchromen-4-one
SMILESC=CC(C)c1c(-c2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C19H16O2/c1-3-13(2)17-18(20)15-11-7-8-12-16(15)21-19(17)14-9-5-4-6-10-14/h3-13H,1H2,2H3
InChIKeyPUPASVRYMQSFBB-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.75
Rot. Bonds3

About 3-but-3-en-2-yl-2-phenylchromen-4-one

3-but-3-en-2-yl-2-phenylchromen-4-one (PubChem CID 102136808) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-but-3-en-2-yl-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-but-3-en-2-yl-2-phenylchromen-4-one
PubChem CID102136808
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name3-but-3-en-2-yl-2-phenylchromen-4-one
SMILESC=CC(C)c1c(-c2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C19H16O2/c1-3-13(2)17-18(20)15-11-7-8-12-16(15)21-19(17)14-9-5-4-6-10-14/h3-13H,1H2,2H3
InChIKeyPUPASVRYMQSFBB-UHFFFAOYSA-N
XLogP4.75
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one
CID 11077963
2-phenyl-3-propan-2-yl-1-benzofuran
CID 11536007
2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one
CID 122542428
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one
CID 15461730
copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)
CID 139162743
(4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate
CID 2752530
methanesulfonic acid;3-methyl-2-phenylchromen-4-one
CID 172814371
2-(4-oxo-3-phenylchromen-2-yl)but-3-enoic acid
CID 68641528
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267
2,4-diamino-6-[1-(4-oxo-2-phenylchromen-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 122542387
3-(2-methylpropyl)-2-phenyl-1-benzofuran
CID 11572364

Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-yl-2-phenylchromen-4-one?
The IUPAC name of 3-but-3-en-2-yl-2-phenylchromen-4-one (CID 102136808) is 3-but-3-en-2-yl-2-phenylchromen-4-one.
What is the SMILES notation for 3-but-3-en-2-yl-2-phenylchromen-4-one?
The canonical SMILES for 3-but-3-en-2-yl-2-phenylchromen-4-one is C=CC(C)c1c(-c2ccccc2)oc2ccccc2c1=O.
What is the InChIKey of 3-but-3-en-2-yl-2-phenylchromen-4-one?
The InChIKey is PUPASVRYMQSFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-3-13(2)17-18(20)15-11-7-8-12-16(15)21-19(17)14-9-5-4-6-10-14/h3-13H,1H2,2H3.
What are the key properties of 3-but-3-en-2-yl-2-phenylchromen-4-one?
3-but-3-en-2-yl-2-phenylchromen-4-one has a molecular weight of 276.34 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yl-2-phenylchromen-4-one is sourced from PubChem (CID 102136808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).