[3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

C15H18BrNO3S — CID 61487504

IUPAC[3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCCCc1nc(COc2c(Br)cc(CO)cc2OC)cs1
InChIInChI=1S/C15H18BrNO3S/c1-3-4-14-17-11(9-21-14)8-20-15-12(16)5-10(7-18)6-13(15)19-2/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyBVNGOZUVMMCIKW-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.94
Rot. Bonds7

About [3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

[3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (PubChem CID 61487504) has the molecular formula C15H18BrNO3S and a molecular weight of 372.28 g/mol. Its IUPAC name is [3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
PubChem CID61487504
Molecular FormulaC15H18BrNO3S
Molecular Weight372.28 g/mol
Exact Mass371.02
IUPAC Name[3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCCCc1nc(COc2c(Br)cc(CO)cc2OC)cs1
InChIInChI=1S/C15H18BrNO3S/c1-3-4-14-17-11(9-21-14)8-20-15-12(16)5-10(7-18)6-13(15)19-2/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyBVNGOZUVMMCIKW-UHFFFAOYSA-N
XLogP3.94
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.94
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
3,5-dibromo-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 107738309
3-bromo-4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methoxybenzaldehyde
CID 61484196
[5-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487344
3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 61487588
[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487304
[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487303
4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773438
[3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 43622608
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 107098522
3,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61487704
1-[4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 79403792

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (CID 61487504) is [3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is CCCc1nc(COc2c(Br)cc(CO)cc2OC)cs1.
What is the InChIKey of [3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is BVNGOZUVMMCIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3S/c1-3-4-14-17-11(9-21-14)8-20-15-12(16)5-10(7-18)6-13(15)19-2/h5-6,9,18H,3-4,7-8H2,1-2H3.
What are the key properties of [3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
[3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 372.28 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 61487504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).