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

C16H16O3 — CID 22071611

IUPAC6-(dimethoxymethyl)-4aH-benzo[c]chromene
SMILESCOC(OC)C1=c2ccccc2=C2C=CC=CC2O1
InChIInChI=1S/C16H16O3/c1-17-16(18-2)15-13-9-4-3-7-11(13)12-8-5-6-10-14(12)19-15/h3-10,14,16H,1-2H3
InChIKeyYWAPXQWTVCHREW-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.09
Rot. Bonds3

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

6-(dimethoxymethyl)-4aH-benzo[c]chromene (PubChem CID 22071611) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-(dimethoxymethyl)-4aH-benzo[c]chromene.

Molecular Properties

Compound Name6-(dimethoxymethyl)-4aH-benzo[c]chromene
PubChem CID22071611
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name6-(dimethoxymethyl)-4aH-benzo[c]chromene
SMILESCOC(OC)C1=c2ccccc2=C2C=CC=CC2O1
InChIInChI=1S/C16H16O3/c1-17-16(18-2)15-13-9-4-3-7-11(13)12-8-5-6-10-14(12)19-15/h3-10,14,16H,1-2H3
InChIKeyYWAPXQWTVCHREW-UHFFFAOYSA-N
XLogP1.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(dimethoxymethyl)-4aH-benzo[c]chromene?
The IUPAC name of 6-(dimethoxymethyl)-4aH-benzo[c]chromene (CID 22071611) is 6-(dimethoxymethyl)-4aH-benzo[c]chromene.
What is the SMILES notation for 6-(dimethoxymethyl)-4aH-benzo[c]chromene?
The canonical SMILES for 6-(dimethoxymethyl)-4aH-benzo[c]chromene is COC(OC)C1=c2ccccc2=C2C=CC=CC2O1.
What is the InChIKey of 6-(dimethoxymethyl)-4aH-benzo[c]chromene?
The InChIKey is YWAPXQWTVCHREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-17-16(18-2)15-13-9-4-3-7-11(13)12-8-5-6-10-14(12)19-15/h3-10,14,16H,1-2H3.
What are the key properties of 6-(dimethoxymethyl)-4aH-benzo[c]chromene?
6-(dimethoxymethyl)-4aH-benzo[c]chromene has a molecular weight of 256.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethoxymethyl)-4aH-benzo[c]chromene is sourced from PubChem (CID 22071611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).