3,5,7-tris(phenylmethoxy)-2H-chromene

C30H26O4 — CID 126510429

IUPAC3,5,7-tris(phenylmethoxy)-2H-chromene
SMILESC1=C(OCc2ccccc2)COc2cc(OCc3ccccc3)cc(OCc3ccccc3)c21
InChIInChI=1S/C30H26O4/c1-4-10-23(11-5-1)19-31-26-17-29(33-21-25-14-8-3-9-15-25)28-16-27(22-34-30(28)18-26)32-20-24-12-6-2-7-13-24/h1-18H,19-22H2
InChIKeyWHONTEZHKSOIHD-UHFFFAOYSA-N
MW450.53 g/mol
LogP6.79
Rot. Bonds9

About 3,5,7-tris(phenylmethoxy)-2H-chromene

3,5,7-tris(phenylmethoxy)-2H-chromene (PubChem CID 126510429) has the molecular formula C30H26O4 and a molecular weight of 450.53 g/mol. Its IUPAC name is 3,5,7-tris(phenylmethoxy)-2H-chromene.

Molecular Properties

Compound Name3,5,7-tris(phenylmethoxy)-2H-chromene
PubChem CID126510429
Molecular FormulaC30H26O4
Molecular Weight450.53 g/mol
Exact Mass450.18
IUPAC Name3,5,7-tris(phenylmethoxy)-2H-chromene
SMILESC1=C(OCc2ccccc2)COc2cc(OCc3ccccc3)cc(OCc3ccccc3)c21
InChIInChI=1S/C30H26O4/c1-4-10-23(11-5-1)19-31-26-17-29(33-21-25-14-8-3-9-15-25)28-16-27(22-34-30(28)18-26)32-20-24-12-6-2-7-13-24/h1-18H,19-22H2
InChIKeyWHONTEZHKSOIHD-UHFFFAOYSA-N
XLogP6.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 123448415
7-phenylmethoxy-3-(6-phenylmethoxy-1,3-benzodioxol-5-yl)-2H-chromene
CID 11005099
5,7-bis(phenylmethoxy)-4H-chromene
CID 25232853
(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 67772487
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene
CID 67497871
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
cesium 5,11,17,23,29,35,41-heptakis(phenylmethoxy)octacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
CID 71610242
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
[2,6-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 101008055
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205

Frequently Asked Questions

What is the IUPAC name of 3,5,7-tris(phenylmethoxy)-2H-chromene?
The IUPAC name of 3,5,7-tris(phenylmethoxy)-2H-chromene (CID 126510429) is 3,5,7-tris(phenylmethoxy)-2H-chromene.
What is the SMILES notation for 3,5,7-tris(phenylmethoxy)-2H-chromene?
The canonical SMILES for 3,5,7-tris(phenylmethoxy)-2H-chromene is C1=C(OCc2ccccc2)COc2cc(OCc3ccccc3)cc(OCc3ccccc3)c21.
What is the InChIKey of 3,5,7-tris(phenylmethoxy)-2H-chromene?
The InChIKey is WHONTEZHKSOIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O4/c1-4-10-23(11-5-1)19-31-26-17-29(33-21-25-14-8-3-9-15-25)28-16-27(22-34-30(28)18-26)32-20-24-12-6-2-7-13-24/h1-18H,19-22H2.
What are the key properties of 3,5,7-tris(phenylmethoxy)-2H-chromene?
3,5,7-tris(phenylmethoxy)-2H-chromene has a molecular weight of 450.53 g/mol, XLogP of 6.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-tris(phenylmethoxy)-2H-chromene is sourced from PubChem (CID 126510429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).