4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene

C30H34O6 — CID 155196721

IUPAC4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene
SMILESCOC(COc1ccc(C2c3ccc(OC4CCCCO4)cc3OCC2c2ccccc2)cc1)OC
InChIInChI=1S/C30H34O6/c1-31-29(32-2)20-34-23-13-11-22(12-14-23)30-25-16-15-24(36-28-10-6-7-17-33-28)18-27(25)35-19-26(30)21-8-4-3-5-9-21/h3-5,8-9,11-16,18,26,28-30H,6-7,10,17,19-20H2,1-2H3
InChIKeyYDCQATHSXAAFJF-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.90
Rot. Bonds9

About 4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene

4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene (PubChem CID 155196721) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is 4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene
PubChem CID155196721
Molecular FormulaC30H34O6
Molecular Weight490.60 g/mol
Exact Mass490.24
IUPAC Name4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene
SMILESCOC(COc1ccc(C2c3ccc(OC4CCCCO4)cc3OCC2c2ccccc2)cc1)OC
InChIInChI=1S/C30H34O6/c1-31-29(32-2)20-34-23-13-11-22(12-14-23)30-25-16-15-24(36-28-10-6-7-17-33-28)18-27(25)35-19-26(30)21-8-4-3-5-9-21/h3-5,8-9,11-16,18,26,28-30H,6-7,10,17,19-20H2,1-2H3
InChIKeyYDCQATHSXAAFJF-UHFFFAOYSA-N
XLogP5.90
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-methyl-N-[[1-[4-[(3S)-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]carbamate
CID 166661916
4-(dimethoxymethyl)-1-[4-[(3S,4S)-7-(oxan-2-yloxy)-3-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidine
CID 170564507
(3S,4R)-7-(oxan-2-yloxy)-3,4-diphenyl-3,4-dihydro-1H-isochromene
CID 166661935
4-[4-(4-chlorobutoxy)phenyl]-3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 18355547
4-(dimethoxymethyl)-1-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidine
CID 165146975
4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 20703979
4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol
CID 18355593
(3S,4R)-4-(4-hexylphenyl)-7-methoxy-3-phenyl-3,4-dihydro-2H-chromene
CID 21310038
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 166661948
4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 163756216
2-[4-[(4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy]acetaldehyde
CID 163817078
1-[2-[4-[(3R,4S)-7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]sulfanylethyl]pyrrolidine
CID 102510804

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of 4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene (CID 155196721) is 4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene is COC(COc1ccc(C2c3ccc(OC4CCCCO4)cc3OCC2c2ccccc2)cc1)OC.
What is the InChIKey of 4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is YDCQATHSXAAFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O6/c1-31-29(32-2)20-34-23-13-11-22(12-14-23)30-25-16-15-24(36-28-10-6-7-17-33-28)18-27(25)35-19-26(30)21-8-4-3-5-9-21/h3-5,8-9,11-16,18,26,28-30H,6-7,10,17,19-20H2,1-2H3.
What are the key properties of 4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene?
4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 490.60 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-dimethoxyethoxy)phenyl]-7-(oxan-2-yloxy)-3-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 155196721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).