3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol

C17H18O4 — CID 63984229

IUPAC3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol
SMILESCOCc1cccc(OC2COc3ccccc3C2O)c1
InChIInChI=1S/C17H18O4/c1-19-10-12-5-4-6-13(9-12)21-16-11-20-15-8-3-2-7-14(15)17(16)18/h2-9,16-18H,10-11H2,1H3
InChIKeySINQBDHPXVTBIW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.71
Rot. Bonds4

About 3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol

3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 63984229) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol
PubChem CID63984229
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol
SMILESCOCc1cccc(OC2COc3ccccc3C2O)c1
InChIInChI=1S/C17H18O4/c1-19-10-12-5-4-6-13(9-12)21-16-11-20-15-8-3-2-7-14(15)17(16)18/h2-9,16-18H,10-11H2,1H3
InChIKeySINQBDHPXVTBIW-UHFFFAOYSA-N
XLogP2.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol (CID 63984229) is 3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol is COCc1cccc(OC2COc3ccccc3C2O)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SINQBDHPXVTBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-10-12-5-4-6-13(9-12)21-16-11-20-15-8-3-2-7-14(15)17(16)18/h2-9,16-18H,10-11H2,1H3.
What are the key properties of 3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol?
3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 286.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 63984229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).