2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol

C16H18BrNO2 — CID 104801712

IUPAC2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol
SMILESCCCOc1cccc(C(O)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C16H18BrNO2/c1-2-8-20-15-5-3-4-12(9-15)16(19)10-14-7-6-13(17)11-18-14/h3-7,9,11,16,19H,2,8,10H2,1H3
InChIKeyYEHWYYLRQYGGMJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.91
Rot. Bonds6

About 2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol

2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol (PubChem CID 104801712) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol
PubChem CID104801712
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol
SMILESCCCOc1cccc(C(O)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C16H18BrNO2/c1-2-8-20-15-5-3-4-12(9-15)16(19)10-14-7-6-13(17)11-18-14/h3-7,9,11,16,19H,2,8,10H2,1H3
InChIKeyYEHWYYLRQYGGMJ-UHFFFAOYSA-N
XLogP3.91
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol
CID 65146024
(2,5-dibromophenyl)-(3-propoxyphenyl)methanol
CID 63425956
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 104801686
1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol
CID 66460527
2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
CID 60798972
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
[2-(5-bromo-3-pyridinyl)-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105334826
3,3,4,4,4-pentafluoro-1-(3-propoxyphenyl)butan-1-ol
CID 156764220
1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol
CID 115833121

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol (CID 104801712) is 2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol is CCCOc1cccc(C(O)Cc2ccc(Br)cn2)c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol?
The InChIKey is YEHWYYLRQYGGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-2-8-20-15-5-3-4-12(9-15)16(19)10-14-7-6-13(17)11-18-14/h3-7,9,11,16,19H,2,8,10H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol has a molecular weight of 336.23 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol is sourced from PubChem (CID 104801712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).