6-(trimethoxymethyl)-4aH-benzo[c]chromene

C17H18O4 — CID 22071607

IUPAC6-(trimethoxymethyl)-4aH-benzo[c]chromene
SMILESCOC(OC)(OC)C1=c2ccccc2=C2C=CC=CC2O1
InChIInChI=1S/C17H18O4/c1-18-17(19-2,20-3)16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)21-16/h4-11,15H,1-3H3
InChIKeyVUEISHSCSDPHBK-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.06
Rot. Bonds4

About 6-(trimethoxymethyl)-4aH-benzo[c]chromene

6-(trimethoxymethyl)-4aH-benzo[c]chromene (PubChem CID 22071607) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-(trimethoxymethyl)-4aH-benzo[c]chromene.

Molecular Properties

Compound Name6-(trimethoxymethyl)-4aH-benzo[c]chromene
PubChem CID22071607
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name6-(trimethoxymethyl)-4aH-benzo[c]chromene
SMILESCOC(OC)(OC)C1=c2ccccc2=C2C=CC=CC2O1
InChIInChI=1S/C17H18O4/c1-18-17(19-2,20-3)16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)21-16/h4-11,15H,1-3H3
InChIKeyVUEISHSCSDPHBK-UHFFFAOYSA-N
XLogP1.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(trimethoxymethyl)-4aH-benzo[c]chromene?
The IUPAC name of 6-(trimethoxymethyl)-4aH-benzo[c]chromene (CID 22071607) is 6-(trimethoxymethyl)-4aH-benzo[c]chromene.
What is the SMILES notation for 6-(trimethoxymethyl)-4aH-benzo[c]chromene?
The canonical SMILES for 6-(trimethoxymethyl)-4aH-benzo[c]chromene is COC(OC)(OC)C1=c2ccccc2=C2C=CC=CC2O1.
What is the InChIKey of 6-(trimethoxymethyl)-4aH-benzo[c]chromene?
The InChIKey is VUEISHSCSDPHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-18-17(19-2,20-3)16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)21-16/h4-11,15H,1-3H3.
What are the key properties of 6-(trimethoxymethyl)-4aH-benzo[c]chromene?
6-(trimethoxymethyl)-4aH-benzo[c]chromene has a molecular weight of 286.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trimethoxymethyl)-4aH-benzo[c]chromene is sourced from PubChem (CID 22071607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).