3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol

C28H29NO4 — CID 12017767

IUPAC3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol
SMILESOc1cc(O)c2c(c1)OCC(c1ccccc1)=C2c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C28H29NO4/c30-22-17-25(31)28-26(18-22)33-19-24(20-7-3-1-4-8-20)27(28)21-9-11-23(12-10-21)32-16-15-29-13-5-2-6-14-29/h1,3-4,7-12,17-18,30-31H,2,5-6,13-16,19H2
InChIKeyAUWJNTVAMMCLGJ-UHFFFAOYSA-N
MW443.54 g/mol
LogP5.31
Rot. Bonds6

About 3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol

3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol (PubChem CID 12017767) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is 3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol.

Molecular Properties

Compound Name3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol
PubChem CID12017767
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol
SMILESOc1cc(O)c2c(c1)OCC(c1ccccc1)=C2c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C28H29NO4/c30-22-17-25(31)28-26(18-22)33-19-24(20-7-3-1-4-8-20)27(28)21-9-11-23(12-10-21)32-16-15-29-13-5-2-6-14-29/h1,3-4,7-12,17-18,30-31H,2,5-6,13-16,19H2
InChIKeyAUWJNTVAMMCLGJ-UHFFFAOYSA-N
XLogP5.31
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
(3S,4R)-3-(4-phenylphenyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-7-ol
CID 20703954
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
2-(2-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzothiophen-5-ol
CID 53301526
4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
CID 71818110
4-[(2R,3S,4S)-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]phenol
CID 46227281
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
15-[4-(2-piperidin-1-ylethoxy)phenyl]-14-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,8,11,15,17-octaen-19-ol
CID 69434033
4-phenylphenol;1-[3-(4-phenylphenoxy)propyl]pyrrolidine;3-pyrrolidin-1-ylpropan-1-ol
CID 161417756
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol?
The IUPAC name of 3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol (CID 12017767) is 3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol.
What is the SMILES notation for 3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol?
The canonical SMILES for 3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol is Oc1cc(O)c2c(c1)OCC(c1ccccc1)=C2c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol?
The InChIKey is AUWJNTVAMMCLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO4/c30-22-17-25(31)28-26(18-22)33-19-24(20-7-3-1-4-8-20)27(28)21-9-11-23(12-10-21)32-16-15-29-13-5-2-6-14-29/h1,3-4,7-12,17-18,30-31H,2,5-6,13-16,19H2.
What are the key properties of 3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol?
3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol has a molecular weight of 443.54 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromene-5,7-diol is sourced from PubChem (CID 12017767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).