2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol

C23H21NO3S — CID 19773121

IUPAC2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol
SMILESCOC(CO)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C23H21NO3S/c1-26-23(16-25,22-24-11-12-28-22)20-7-4-8-21(14-20)27-15-17-9-10-18-5-2-3-6-19(18)13-17/h2-14,25H,15-16H2,1H3
InChIKeyCTRIWYBIVDQLKV-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.76
Rot. Bonds7

About 2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol

2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 19773121) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol
PubChem CID19773121
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol
SMILESCOC(CO)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C23H21NO3S/c1-26-23(16-25,22-24-11-12-28-22)20-7-4-8-21(14-20)27-15-17-9-10-18-5-2-3-6-19(18)13-17/h2-14,25H,15-16H2,1H3
InChIKeyCTRIWYBIVDQLKV-UHFFFAOYSA-N
XLogP4.76
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea
CID 23167542
2-[1-[3-methoxy-5-(naphthalen-2-ylmethoxy)phenyl]-1-prop-2-enoxypropyl]-1,3-thiazole
CID 19773079
1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
CID 15049958
3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
CID 22406587
3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol
CID 19761524
3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]butanenitrile
CID 19761557
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
2,2,2-trifluoro-1-[3-(quinolin-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)ethanol
CID 19101653
2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid
CID 19773071
5-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]-2-(naphthalen-2-ylmethoxy)benzonitrile
CID 19773033
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
6-(phenoxymethyl)-1-benzothiophene
CID 173192400

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol (CID 19773121) is 2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol is COC(CO)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1.
What is the InChIKey of 2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is CTRIWYBIVDQLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-26-23(16-25,22-24-11-12-28-22)20-7-4-8-21(14-20)27-15-17-9-10-18-5-2-3-6-19(18)13-17/h2-14,25H,15-16H2,1H3.
What are the key properties of 2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol?
2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 391.49 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 19773121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).