[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol

C15H16BrNO2 — CID 112620933

IUPAC[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCCc1ccccn1
InChIInChI=1S/C15H16BrNO2/c1-11-8-13(16)9-12(10-18)15(11)19-7-5-14-4-2-3-6-17-14/h2-4,6,8-9,18H,5,7,10H2,1H3
InChIKeyKICSSUPMQHKDTG-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.27
Rot. Bonds5

About [5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol

[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol (PubChem CID 112620933) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is [5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol
PubChem CID112620933
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCCc1ccccn1
InChIInChI=1S/C15H16BrNO2/c1-11-8-13(16)9-12(10-18)15(11)19-7-5-14-4-2-3-6-17-14/h2-4,6,8-9,18H,5,7,10H2,1H3
InChIKeyKICSSUPMQHKDTG-UHFFFAOYSA-N
XLogP3.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine
CID 112621371
5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911733
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
[5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol
CID 112620958
[5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 115962124
5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine
CID 62001343
[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]methanol
CID 112621049
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962142
1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one
CID 112621106
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
CID 60891835

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol?
The IUPAC name of [5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol (CID 112620933) is [5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol.
What is the SMILES notation for [5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol?
The canonical SMILES for [5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol is Cc1cc(Br)cc(CO)c1OCCc1ccccn1.
What is the InChIKey of [5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol?
The InChIKey is KICSSUPMQHKDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-11-8-13(16)9-12(10-18)15(11)19-7-5-14-4-2-3-6-17-14/h2-4,6,8-9,18H,5,7,10H2,1H3.
What are the key properties of [5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol?
[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol has a molecular weight of 322.20 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol is sourced from PubChem (CID 112620933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).