2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene

C19H22O3 — CID 67216701

IUPAC2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
SMILESCCOCC1CCc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C19H22O3/c1-2-20-14-18-11-9-16-8-10-17(12-19(16)22-18)21-13-15-6-4-3-5-7-15/h3-8,10,12,18H,2,9,11,13-14H2,1H3
InChIKeyHZWVGXSLNBWCFO-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.00
Rot. Bonds6

About 2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene

2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene (PubChem CID 67216701) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
PubChem CID67216701
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
SMILESCCOCC1CCc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C19H22O3/c1-2-20-14-18-11-9-16-8-10-17(12-19(16)22-18)21-13-15-6-4-3-5-7-15/h3-8,10,12,18H,2,9,11,13-14H2,1H3
InChIKeyHZWVGXSLNBWCFO-UHFFFAOYSA-N
XLogP4.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene (CID 67216701) is 2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene is CCOCC1CCc2ccc(OCc3ccccc3)cc2O1.
What is the InChIKey of 2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene?
The InChIKey is HZWVGXSLNBWCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-2-20-14-18-11-9-16-8-10-17(12-19(16)22-18)21-13-15-6-4-3-5-7-15/h3-8,10,12,18H,2,9,11,13-14H2,1H3.
What are the key properties of 2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene?
2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene has a molecular weight of 298.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene is sourced from PubChem (CID 67216701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).