[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

C16H21NO3S — CID 61487304

IUPAC[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCCCc1nc(COc2c(CO)cccc2OCC)cs1
InChIInChI=1S/C16H21NO3S/c1-3-6-15-17-13(11-21-15)10-20-16-12(9-18)7-5-8-14(16)19-4-2/h5,7-8,11,18H,3-4,6,9-10H2,1-2H3
InChIKeyKKAVEEBATROPCK-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.57
Rot. Bonds8

About [3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (PubChem CID 61487304) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is [3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
PubChem CID61487304
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCCCc1nc(COc2c(CO)cccc2OCC)cs1
InChIInChI=1S/C16H21NO3S/c1-3-6-15-17-13(11-21-15)10-20-16-12(9-18)7-5-8-14(16)19-4-2/h5,7-8,11,18H,3-4,6,9-10H2,1-2H3
InChIKeyKKAVEEBATROPCK-UHFFFAOYSA-N
XLogP3.57
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487345
[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487303
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487344
2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487551
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487340
[3-ethoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
CID 82865592
2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 43310246
[3-ethoxy-2-(methoxymethoxy)phenyl]methanol
CID 65364783
[5-nitro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487346
[3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487504
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (CID 61487304) is [3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is CCCc1nc(COc2c(CO)cccc2OCC)cs1.
What is the InChIKey of [3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is KKAVEEBATROPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-3-6-15-17-13(11-21-15)10-20-16-12(9-18)7-5-8-14(16)19-4-2/h5,7-8,11,18H,3-4,6,9-10H2,1-2H3.
What are the key properties of [3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 307.42 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 61487304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).