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

C25H26O4 — CID 139828383

IUPAC2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
SMILESCCOc1cc(OC)ccc1C1CCc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C25H26O4/c1-3-27-25-15-20(26-2)12-13-22(25)23-14-10-19-9-11-21(16-24(19)29-23)28-17-18-7-5-4-6-8-18/h4-9,11-13,15-16,23H,3,10,14,17H2,1-2H3
InChIKeyNMFJQXRRAYOPSC-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.74
Rot. Bonds7

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

2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene (PubChem CID 139828383) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
PubChem CID139828383
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
SMILESCCOc1cc(OC)ccc1C1CCc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C25H26O4/c1-3-27-25-15-20(26-2)12-13-22(25)23-14-10-19-9-11-21(16-24(19)29-23)28-17-18-7-5-4-6-8-18/h4-9,11-13,15-16,23H,3,10,14,17H2,1-2H3
InChIKeyNMFJQXRRAYOPSC-UHFFFAOYSA-N
XLogP5.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 139828260
[2-(2-acetyloxy-4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-7-yl] dodecanoate
CID 139828255
2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 67216701
2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 10568614
[5-ethoxy-2-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] acetate
CID 139828190
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-ethyl-7-methoxy-3,4-dihydro-2H-chromen-2-amine
CID 70260790
N-benzyl-2-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)ethanamine
CID 70035446
(4R,5S)-4,5-bis(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 139636777

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene (CID 139828383) is 2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene is CCOc1cc(OC)ccc1C1CCc2ccc(OCc3ccccc3)cc2O1.
What is the InChIKey of 2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene?
The InChIKey is NMFJQXRRAYOPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-3-27-25-15-20(26-2)12-13-22(25)23-14-10-19-9-11-21(16-24(19)29-23)28-17-18-7-5-4-6-8-18/h4-9,11-13,15-16,23H,3,10,14,17H2,1-2H3.
What are the key properties of 2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene?
2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene has a molecular weight of 390.48 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene is sourced from PubChem (CID 139828383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).