1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol

C24H23NO2S — CID 19773051

IUPAC1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol
SMILESCCCC(O)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C24H23NO2S/c1-2-12-24(26,23-25-13-14-28-23)21-8-5-9-22(16-21)27-17-18-10-11-19-6-3-4-7-20(19)15-18/h3-11,13-16,26H,2,12,17H2,1H3
InChIKeyCFKNPFMSMNJISD-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.91
Rot. Bonds7

About 1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol

1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol (PubChem CID 19773051) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol
PubChem CID19773051
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol
SMILESCCCC(O)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C24H23NO2S/c1-2-12-24(26,23-25-13-14-28-23)21-8-5-9-22(16-21)27-17-18-10-11-19-6-3-4-7-20(19)15-18/h3-11,13-16,26H,2,12,17H2,1H3
InChIKeyCFKNPFMSMNJISD-UHFFFAOYSA-N
XLogP5.91
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of 1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol (CID 19773051) is 1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for 1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for 1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol is CCCC(O)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1.
What is the InChIKey of 1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is CFKNPFMSMNJISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-2-12-24(26,23-25-13-14-28-23)21-8-5-9-22(16-21)27-17-18-10-11-19-6-3-4-7-20(19)15-18/h3-11,13-16,26H,2,12,17H2,1H3.
What are the key properties of 1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol?
1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 389.52 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(naphthalen-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 19773051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).