4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene

C18H22O4 — CID 68828358

IUPAC4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene
SMILESCOc1cc(C2C=COC3=C2CCCC3)cc(OC)c1OC
InChIInChI=1S/C18H22O4/c1-19-16-10-12(11-17(20-2)18(16)21-3)13-8-9-22-15-7-5-4-6-14(13)15/h8-11,13H,4-7H2,1-3H3
InChIKeyFPWPXDDYSPTXBZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.17
Rot. Bonds4

About 4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene

4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene (PubChem CID 68828358) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene
PubChem CID68828358
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene
SMILESCOc1cc(C2C=COC3=C2CCCC3)cc(OC)c1OC
InChIInChI=1S/C18H22O4/c1-19-16-10-12(11-17(20-2)18(16)21-3)13-8-9-22-15-7-5-4-6-14(13)15/h8-11,13H,4-7H2,1-3H3
InChIKeyFPWPXDDYSPTXBZ-UHFFFAOYSA-N
XLogP4.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene?
The IUPAC name of 4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene (CID 68828358) is 4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene?
The canonical SMILES for 4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene is COc1cc(C2C=COC3=C2CCCC3)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene?
The InChIKey is FPWPXDDYSPTXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-19-16-10-12(11-17(20-2)18(16)21-3)13-8-9-22-15-7-5-4-6-14(13)15/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene?
4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene has a molecular weight of 302.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene is sourced from PubChem (CID 68828358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).