1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol

C19H20O5 — CID 109414815

IUPAC1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol
SMILESCOc1ccc2ccc(OCC(O)COCc3ccco3)cc2c1
InChIInChI=1S/C19H20O5/c1-21-17-6-4-14-5-7-18(10-15(14)9-17)24-12-16(20)11-22-13-19-3-2-8-23-19/h2-10,16,20H,11-13H2,1H3
InChIKeyIVTGDSAALOMCIJ-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.40
Rot. Bonds8

About 1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol

1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol (PubChem CID 109414815) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol
PubChem CID109414815
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol
SMILESCOc1ccc2ccc(OCC(O)COCc3ccco3)cc2c1
InChIInChI=1S/C19H20O5/c1-21-17-6-4-14-5-7-18(10-15(14)9-17)24-12-16(20)11-22-13-19-3-2-8-23-19/h2-10,16,20H,11-13H2,1H3
InChIKeyIVTGDSAALOMCIJ-UHFFFAOYSA-N
XLogP3.40
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol (CID 109414815) is 1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol is COc1ccc2ccc(OCC(O)COCc3ccco3)cc2c1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol?
The InChIKey is IVTGDSAALOMCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-21-17-6-4-14-5-7-18(10-15(14)9-17)24-12-16(20)11-22-13-19-3-2-8-23-19/h2-10,16,20H,11-13H2,1H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol?
1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol has a molecular weight of 328.36 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-(7-methoxynaphthalen-2-yl)oxypropan-2-ol is sourced from PubChem (CID 109414815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).