7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one

C27H33NO4 — CID 56640468

IUPAC7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one
SMILESCCC1CCN(CCCCCOc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)CC1
InChIInChI=1S/C27H33NO4/c1-2-20-12-15-28(16-13-20)14-4-3-5-17-31-23-10-11-24-26(18-23)32-19-25(27(24)30)21-6-8-22(29)9-7-21/h6-11,18-20,29H,2-5,12-17H2,1H3
InChIKeyBBOKOZDGUCQFSU-UHFFFAOYSA-N
MW435.56 g/mol
LogP5.84
Rot. Bonds9

About 7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one

7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one (PubChem CID 56640468) has the molecular formula C27H33NO4 and a molecular weight of 435.56 g/mol. Its IUPAC name is 7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one
PubChem CID56640468
Molecular FormulaC27H33NO4
Molecular Weight435.56 g/mol
Exact Mass435.24
IUPAC Name7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one
SMILESCCC1CCN(CCCCCOc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)CC1
InChIInChI=1S/C27H33NO4/c1-2-20-12-15-28(16-13-20)14-4-3-5-17-31-23-10-11-24-26(18-23)32-19-25(27(24)30)21-6-8-22(29)9-7-21/h6-11,18-20,29H,2-5,12-17H2,1H3
InChIKeyBBOKOZDGUCQFSU-UHFFFAOYSA-N
XLogP5.84
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
CID 56640470
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
3-[4-[4-(4-benzylpiperazin-1-yl)butoxy]phenyl]-7-hydroxychromen-4-one
CID 54759747
7-(4-piperazin-1-ylbutoxy)-3-(4-propan-2-ylphenyl)chromen-4-one
CID 102303977
3-phenyl-7-(4-piperazin-1-ylbutoxy)chromen-4-one
CID 11090179
7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one
CID 10925737
1-heptyl-3-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyaziridin-2-one
CID 59243640
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-ethylacetamide
CID 25065860
[3-(4-decoxyphenyl)-4-oxochromen-7-yl] decanoate
CID 100957035
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]acetic acid
CID 69170887

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one (CID 56640468) is 7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one is CCC1CCN(CCCCCOc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)CC1.
What is the InChIKey of 7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is BBOKOZDGUCQFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO4/c1-2-20-12-15-28(16-13-20)14-4-3-5-17-31-23-10-11-24-26(18-23)32-19-25(27(24)30)21-6-8-22(29)9-7-21/h6-11,18-20,29H,2-5,12-17H2,1H3.
What are the key properties of 7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one?
7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 435.56 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 56640468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).