3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol

C29H31NO3 — CID 74047256

IUPAC3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol
SMILESOc1ccc2c(c1)OCC(c1ccccc1)C2=Cc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C29H31NO3/c31-24-11-14-26-27(28(21-33-29(26)20-24)23-7-3-1-4-8-23)19-22-9-12-25(13-10-22)32-18-17-30-15-5-2-6-16-30/h1,3-4,7-14,19-20,28,31H,2,5-6,15-18,21H2
InChIKeySYJWZSQIZQCNQY-UHFFFAOYSA-N
MW441.57 g/mol
LogP5.97
Rot. Bonds6

About 3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol

3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol (PubChem CID 74047256) has the molecular formula C29H31NO3 and a molecular weight of 441.57 g/mol. Its IUPAC name is 3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol.

Molecular Properties

Compound Name3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol
PubChem CID74047256
Molecular FormulaC29H31NO3
Molecular Weight441.57 g/mol
Exact Mass441.23
IUPAC Name3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol
SMILESOc1ccc2c(c1)OCC(c1ccccc1)C2=Cc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C29H31NO3/c31-24-11-14-26-27(28(21-33-29(26)20-24)23-7-3-1-4-8-23)19-22-9-12-25(13-10-22)32-18-17-30-15-5-2-6-16-30/h1,3-4,7-14,19-20,28,31H,2,5-6,15-18,21H2
InChIKeySYJWZSQIZQCNQY-UHFFFAOYSA-N
XLogP5.97
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-3-(4-phenylphenyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-7-ol
CID 20703954
(3S)-3-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,4-dihydro-2H-chromen-6-ol
CID 67603491
3-cyclooctyl-2,3-dihydro-1,4-benzoxathiin-7-ol;1-(2-phenoxyethyl)piperidine
CID 142137642
3-(4-hydroxyphenyl)-7-(4-piperidin-1-ylbutoxy)-2,3-dihydrochromen-4-one;hydrobromide
CID 175142288
(3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one
CID 118734124
2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
CID 150942360
(19R)-19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15-heptaen-15-ol
CID 44596575
(3R,4S)-3-(2,3,4,5,6-pentafluorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-7-ol
CID 86757590
(4S)-4-methyl-3,4-dihydro-2H-chromen-7-ol;phenol;1-(2-phenoxyethyl)piperidine
CID 142952789
(3R,4R)-3-phenyl-4-[4-(8-pyrrolidin-1-yloctoxy)phenyl]-3,4-dihydro-2H-chromen-6-ol
CID 67558949
ethane;methanol;1-[2-[4-(3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine
CID 90800401
(3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one
CID 118734146

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol?
The IUPAC name of 3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol (CID 74047256) is 3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol.
What is the SMILES notation for 3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol?
The canonical SMILES for 3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol is Oc1ccc2c(c1)OCC(c1ccccc1)C2=Cc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol?
The InChIKey is SYJWZSQIZQCNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO3/c31-24-11-14-26-27(28(21-33-29(26)20-24)23-7-3-1-4-8-23)19-22-9-12-25(13-10-22)32-18-17-30-15-5-2-6-16-30/h1,3-4,7-14,19-20,28,31H,2,5-6,15-18,21H2.
What are the key properties of 3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol?
3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol has a molecular weight of 441.57 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]-2,3-dihydrochromen-7-ol is sourced from PubChem (CID 74047256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).