4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one

C28H27NO4 — CID 71818110

IUPAC4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
SMILESO=c1oc2cc(OCCN3CCCCC3)ccc2c(-c2ccc(O)cc2)c1-c1ccccc1
InChIInChI=1S/C28H27NO4/c30-22-11-9-21(10-12-22)26-24-14-13-23(32-18-17-29-15-5-2-6-16-29)19-25(24)33-28(31)27(26)20-7-3-1-4-8-20/h1,3-4,7-14,19,30H,2,5-6,15-18H2
InChIKeyWVMSCOKCOWTDAM-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.70
Rot. Bonds6

About 4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one

4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one (PubChem CID 71818110) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
PubChem CID71818110
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC Name4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
SMILESO=c1oc2cc(OCCN3CCCCC3)ccc2c(-c2ccc(O)cc2)c1-c1ccccc1
InChIInChI=1S/C28H27NO4/c30-22-11-9-21(10-12-22)26-24-14-13-23(32-18-17-29-15-5-2-6-16-29)19-25(24)33-28(31)27(26)20-7-3-1-4-8-20/h1,3-4,7-14,19,30H,2,5-6,15-18H2
InChIKeyWVMSCOKCOWTDAM-UHFFFAOYSA-N
XLogP5.70
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-7-(2-piperidin-1-ylethoxy)-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
CID 71817959
3-(4-chlorophenyl)-7-hydroxy-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-2-one
CID 10204938
3-(4-chlorophenyl)-7-hydroxy-4-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-2-one
CID 10184881
7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 15547179
7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one
CID 10182867
3-(4-chlorophenyl)-7-hydroxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one;hydrochloride
CID 22994356
3-(2-chlorophenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one;3-(3-chlorophenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one;7-hydroxy-3-(4-methylphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 91504785
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
3-(3-chloro-4-methylphenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 18721837
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
1-[2-[7-[2-(azetidin-1-yl)ethoxy]dibenzofuran-3-yl]oxyethyl]azetidine
CID 57439372
1-[2-[3-(6-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylphenoxy]ethyl]piperidine;hydrochloride
CID 67634824

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one?
The IUPAC name of 4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one (CID 71818110) is 4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one is O=c1oc2cc(OCCN3CCCCC3)ccc2c(-c2ccc(O)cc2)c1-c1ccccc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one?
The InChIKey is WVMSCOKCOWTDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c30-22-11-9-21(10-12-22)26-24-14-13-23(32-18-17-29-15-5-2-6-16-29)19-25(24)33-28(31)27(26)20-7-3-1-4-8-20/h1,3-4,7-14,19,30H,2,5-6,15-18H2.
What are the key properties of 4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one?
4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one has a molecular weight of 441.53 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one is sourced from PubChem (CID 71818110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).