[3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol

C15H19BrN2O3 — CID 103003506

IUPAC[3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol
SMILESCCOc1cc(CO)cc(Br)c1OCCc1ccnn1C
InChIInChI=1S/C15H19BrN2O3/c1-3-20-14-9-11(10-19)8-13(16)15(14)21-7-5-12-4-6-17-18(12)2/h4,6,8-9,19H,3,5,7,10H2,1-2H3
InChIKeyGZZCFHDPUDTBCT-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.70
Rot. Bonds7

About [3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol

[3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol (PubChem CID 103003506) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is [3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol
PubChem CID103003506
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name[3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol
SMILESCCOc1cc(CO)cc(Br)c1OCCc1ccnn1C
InChIInChI=1S/C15H19BrN2O3/c1-3-20-14-9-11(10-19)8-13(16)15(14)21-7-5-12-4-6-17-18(12)2/h4,6,8-9,19H,3,5,7,10H2,1-2H3
InChIKeyGZZCFHDPUDTBCT-UHFFFAOYSA-N
XLogP2.70
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003767
(3-bromo-4-butoxy-5-ethoxyphenyl)methanol
CID 43627133
[3-bromo-5-ethoxy-4-(3-methylbut-3-enoxy)phenyl]methanol
CID 114472815
4-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]pyridine
CID 60891684
4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine
CID 60891685
[3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol
CID 106453726
3-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
CID 62325547
[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol
CID 43627218
4-bromo-3-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 103009202
4-[[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 3252581
3-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 103002882
[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol
CID 65459217

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol?
The IUPAC name of [3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol (CID 103003506) is [3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol is CCOc1cc(CO)cc(Br)c1OCCc1ccnn1C.
What is the InChIKey of [3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol?
The InChIKey is GZZCFHDPUDTBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-3-20-14-9-11(10-19)8-13(16)15(14)21-7-5-12-4-6-17-18(12)2/h4,6,8-9,19H,3,5,7,10H2,1-2H3.
What are the key properties of [3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol?
[3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol has a molecular weight of 355.23 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 103003506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).