7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene

C30H26O3 — CID 118886898

IUPAC7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene
SMILESCc1ccc2c(c1)OC(c1ccc(OCc3ccccc3)cc1)C(OCc1ccccc1)=C2
InChIInChI=1S/C30H26O3/c1-22-12-13-26-19-29(32-21-24-10-6-3-7-11-24)30(33-28(26)18-22)25-14-16-27(17-15-25)31-20-23-8-4-2-5-9-23/h2-19,30H,20-21H2,1H3
InChIKeyTVLNTPATHUAYME-UHFFFAOYSA-N
MW434.54 g/mol
LogP7.27
Rot. Bonds7

About 7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene

7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene (PubChem CID 118886898) has the molecular formula C30H26O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene.

Molecular Properties

Compound Name7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene
PubChem CID118886898
Molecular FormulaC30H26O3
Molecular Weight434.54 g/mol
Exact Mass434.19
IUPAC Name7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene
SMILESCc1ccc2c(c1)OC(c1ccc(OCc3ccccc3)cc1)C(OCc1ccccc1)=C2
InChIInChI=1S/C30H26O3/c1-22-12-13-26-19-29(32-21-24-10-6-3-7-11-24)30(33-28(26)18-22)25-14-16-27(17-15-25)31-20-23-8-4-2-5-9-23/h2-19,30H,20-21H2,1H3
InChIKeyTVLNTPATHUAYME-UHFFFAOYSA-N
XLogP7.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene?
The IUPAC name of 7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene (CID 118886898) is 7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene.
What is the SMILES notation for 7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene?
The canonical SMILES for 7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene is Cc1ccc2c(c1)OC(c1ccc(OCc3ccccc3)cc1)C(OCc1ccccc1)=C2.
What is the InChIKey of 7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene?
The InChIKey is TVLNTPATHUAYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O3/c1-22-12-13-26-19-29(32-21-24-10-6-3-7-11-24)30(33-28(26)18-22)25-14-16-27(17-15-25)31-20-23-8-4-2-5-9-23/h2-19,30H,20-21H2,1H3.
What are the key properties of 7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene?
7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene has a molecular weight of 434.54 g/mol, XLogP of 7.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2H-chromene is sourced from PubChem (CID 118886898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).