7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene

C26H28O4 — CID 139828260

IUPAC7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
SMILESCCOc1ccc2c(c1)OC(c1ccc(OCC)cc1OCc1ccccc1)CC2
InChIInChI=1S/C26H28O4/c1-3-27-21-12-10-20-11-15-24(30-25(20)16-21)23-14-13-22(28-4-2)17-26(23)29-18-19-8-6-5-7-9-19/h5-10,12-14,16-17,24H,3-4,11,15,18H2,1-2H3
InChIKeyWLYBJMFSNKGPTO-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.13
Rot. Bonds8

About 7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene

7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene (PubChem CID 139828260) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
PubChem CID139828260
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Name7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
SMILESCCOc1ccc2c(c1)OC(c1ccc(OCC)cc1OCc1ccccc1)CC2
InChIInChI=1S/C26H28O4/c1-3-27-21-12-10-20-11-15-24(30-25(20)16-21)23-14-13-22(28-4-2)17-26(23)29-18-19-8-6-5-7-9-19/h5-10,12-14,16-17,24H,3-4,11,15,18H2,1-2H3
InChIKeyWLYBJMFSNKGPTO-UHFFFAOYSA-N
XLogP6.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 139828383
[2-(2-acetyloxy-4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-7-yl] dodecanoate
CID 139828255
[5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate
CID 139828190
2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 67216701
2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 10568614
1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine
CID 173250848
(2R)-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 142956928
4-ethoxy-1-[(2R)-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl]butan-2-amine
CID 91508008
3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine
CID 70052978
N-benzyl-2-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)ethanamine
CID 70035446
3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
CID 10113997
7-phenylmethoxy-3,4-dihydro-2H-chromene-2-carbaldehyde;(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methanol
CID 159424302

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene (CID 139828260) is 7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene is CCOc1ccc2c(c1)OC(c1ccc(OCC)cc1OCc1ccccc1)CC2.
What is the InChIKey of 7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene?
The InChIKey is WLYBJMFSNKGPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O4/c1-3-27-21-12-10-20-11-15-24(30-25(20)16-21)23-14-13-22(28-4-2)17-26(23)29-18-19-8-6-5-7-9-19/h5-10,12-14,16-17,24H,3-4,11,15,18H2,1-2H3.
What are the key properties of 7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene?
7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene has a molecular weight of 404.51 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 139828260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).