3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol

C22H23FO4 — CID 22408605

IUPAC3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol
SMILESCOCC(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)C(O)CO
InChIInChI=1S/C22H23FO4/c1-26-14-21(22(25)12-24)18-9-19(23)11-20(10-18)27-13-15-6-7-16-4-2-3-5-17(16)8-15/h2-11,21-22,24-25H,12-14H2,1H3
InChIKeyDXCHDHGQJRHGMR-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.64
Rot. Bonds8

About 3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol

3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol (PubChem CID 22408605) has the molecular formula C22H23FO4 and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol.

Molecular Properties

Compound Name3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol
PubChem CID22408605
Molecular FormulaC22H23FO4
Molecular Weight370.42 g/mol
Exact Mass370.16
IUPAC Name3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol
SMILESCOCC(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)C(O)CO
InChIInChI=1S/C22H23FO4/c1-26-14-21(22(25)12-24)18-9-19(23)11-20(10-18)27-13-15-6-7-16-4-2-3-5-17(16)8-15/h2-11,21-22,24-25H,12-14H2,1H3
InChIKeyDXCHDHGQJRHGMR-UHFFFAOYSA-N
XLogP3.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol?
The IUPAC name of 3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol (CID 22408605) is 3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol.
What is the SMILES notation for 3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol?
The canonical SMILES for 3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol is COCC(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)C(O)CO.
What is the InChIKey of 3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol?
The InChIKey is DXCHDHGQJRHGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FO4/c1-26-14-21(22(25)12-24)18-9-19(23)11-20(10-18)27-13-15-6-7-16-4-2-3-5-17(16)8-15/h2-11,21-22,24-25H,12-14H2,1H3.
What are the key properties of 3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol?
3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol has a molecular weight of 370.42 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol is sourced from PubChem (CID 22408605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).