7-(3-methylbutoxy)-3-phenylchromen-4-one

C20H20O3 — CID 23931723

IUPAC7-(3-methylbutoxy)-3-phenylchromen-4-one
SMILESCC(C)CCOc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C20H20O3/c1-14(2)10-11-22-16-8-9-17-19(12-16)23-13-18(20(17)21)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3
InChIKeyHLONWYCLCNPWKG-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.88
Rot. Bonds5

About 7-(3-methylbutoxy)-3-phenylchromen-4-one

7-(3-methylbutoxy)-3-phenylchromen-4-one (PubChem CID 23931723) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 7-(3-methylbutoxy)-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-(3-methylbutoxy)-3-phenylchromen-4-one
PubChem CID23931723
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name7-(3-methylbutoxy)-3-phenylchromen-4-one
SMILESCC(C)CCOc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C20H20O3/c1-14(2)10-11-22-16-8-9-17-19(12-16)23-13-18(20(17)21)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3
InChIKeyHLONWYCLCNPWKG-UHFFFAOYSA-N
XLogP4.88
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 163082505
N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 45371498
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one
CID 71698611
3-phenyl-7-(4-piperazin-1-ylbutoxy)chromen-4-one
CID 11090179
2-[4-[7-[2-(carboxymethoxy)ethoxy]-4-oxochromen-3-yl]phenoxy]propanoic acid
CID 147068977
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one
CID 12918919
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 40816642

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbutoxy)-3-phenylchromen-4-one?
The IUPAC name of 7-(3-methylbutoxy)-3-phenylchromen-4-one (CID 23931723) is 7-(3-methylbutoxy)-3-phenylchromen-4-one.
What is the SMILES notation for 7-(3-methylbutoxy)-3-phenylchromen-4-one?
The canonical SMILES for 7-(3-methylbutoxy)-3-phenylchromen-4-one is CC(C)CCOc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of 7-(3-methylbutoxy)-3-phenylchromen-4-one?
The InChIKey is HLONWYCLCNPWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-14(2)10-11-22-16-8-9-17-19(12-16)23-13-18(20(17)21)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3.
What are the key properties of 7-(3-methylbutoxy)-3-phenylchromen-4-one?
7-(3-methylbutoxy)-3-phenylchromen-4-one has a molecular weight of 308.38 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbutoxy)-3-phenylchromen-4-one is sourced from PubChem (CID 23931723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).