(1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol

C18H18O4 — CID 10979416

IUPAC(1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol
SMILESO[C@H](COCc1ccc2ccccc2c1)[C@H](O)c1ccco1
InChIInChI=1S/C18H18O4/c19-16(18(20)17-6-3-9-22-17)12-21-11-13-7-8-14-4-1-2-5-15(14)10-13/h1-10,16,18-20H,11-12H2/t16-,18+/m1/s1
InChIKeyKOPDWWNCVIOTET-AEFFLSMTSA-N
MW298.34 g/mol
LogP3.04
Rot. Bonds6

About (1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol

(1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol (PubChem CID 10979416) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol
PubChem CID10979416
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol
SMILESO[C@H](COCc1ccc2ccccc2c1)[C@H](O)c1ccco1
InChIInChI=1S/C18H18O4/c19-16(18(20)17-6-3-9-22-17)12-21-11-13-7-8-14-4-1-2-5-15(14)10-13/h1-10,16,18-20H,11-12H2/t16-,18+/m1/s1
InChIKeyKOPDWWNCVIOTET-AEFFLSMTSA-N
XLogP3.04
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
CID 100966821
1-(furan-2-yl)-2-naphthalen-2-ylethanol
CID 55150829
1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol
CID 88891115
1-(furan-2-yl)-2-phenylmethoxyethanamine
CID 16788903
2-(ethoxymethyl)naphthalene
CID 11063138
(6S)-2-hydroxy-6-[(1R)-1-hydroxy-2-(naphthalen-2-ylmethoxy)ethyl]-2H-pyran-5-one
CID 11045248
(Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol
CID 53305482
N-methyl-2-(naphthalen-2-ylmethoxy)acetohydrazide
CID 116845423
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
1-(phenanthren-3-ylmethoxy)-4-sulfanylbutan-2-ol
CID 91146621
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol?
The IUPAC name of (1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol (CID 10979416) is (1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol.
What is the SMILES notation for (1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol?
The canonical SMILES for (1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol is O[C@H](COCc1ccc2ccccc2c1)[C@H](O)c1ccco1.
What is the InChIKey of (1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol?
The InChIKey is KOPDWWNCVIOTET-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H18O4/c19-16(18(20)17-6-3-9-22-17)12-21-11-13-7-8-14-4-1-2-5-15(14)10-13/h1-10,16,18-20H,11-12H2/t16-,18+/m1/s1.
What are the key properties of (1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol?
(1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol has a molecular weight of 298.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(furan-2-yl)-3-(naphthalen-2-ylmethoxy)propane-1,2-diol is sourced from PubChem (CID 10979416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).