1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol

C18H18O4 — CID 109413160

IUPAC1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COCc1ccco1)COc1ccc2ccccc2c1
InChIInChI=1S/C18H18O4/c19-16(11-20-13-18-6-3-9-21-18)12-22-17-8-7-14-4-1-2-5-15(14)10-17/h1-10,16,19H,11-13H2
InChIKeyOFRUEVZILXZWGL-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.39
Rot. Bonds7

About 1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol

1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 109413160) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol
PubChem CID109413160
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COCc1ccco1)COc1ccc2ccccc2c1
InChIInChI=1S/C18H18O4/c19-16(11-20-13-18-6-3-9-21-18)12-22-17-8-7-14-4-1-2-5-15(14)10-17/h1-10,16,19H,11-13H2
InChIKeyOFRUEVZILXZWGL-UHFFFAOYSA-N
XLogP3.39
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-Naphthalenyloxy)methyl]-2-furancarboxylic acid
CID 725875
2-Furoic acid, 2-naphthyl ester
CID 532723
Naphthalen-1-yl furan-2-carboxylate
CID 565213
Acetic acid, ((4-(3-furanylcarbonyl)-1-naphthalenyl)oxy)-
CID 3052164
5-Hydroxy-1-naphthyl 2-furoate
CID 7314053
2,2,2-Trifluoroethyl 5-[(naphthalen-2-yloxy)methyl]furan-2-carboxylate
CID 4147483
Pichiafuran B
CID 24879478
Methyl 5-[(2-naphthyloxy)methyl]-2-furoate
CID 890635
5-[(1-Naphthyloxy)methyl]-2-furoic acid
CID 580602
1'-Acetonaphthone, 4'-(2-hydroxy-3-isopropoxypropoxy)-
CID 24469
1'-Acetonaphthone, 2-ethoxy-4'-(2-hydroxypropoxy)-
CID 51860
1'-Acetonaphthone, 2-hydroxy-4'-(2-hydroxypropoxy)-
CID 51863

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol (CID 109413160) is 1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol is OC(COCc1ccco1)COc1ccc2ccccc2c1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is OFRUEVZILXZWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c19-16(11-20-13-18-6-3-9-21-18)12-22-17-8-7-14-4-1-2-5-15(14)10-17/h1-10,16,19H,11-13H2.
What are the key properties of 1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol?
1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 298.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 109413160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).