[5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol

C15H16BrNO3 — CID 115962124

IUPAC[5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol
SMILESCOc1ncccc1COc1c(C)cc(Br)cc1CO
InChIInChI=1S/C15H16BrNO3/c1-10-6-13(16)7-12(8-18)14(10)20-9-11-4-3-5-17-15(11)19-2/h3-7,18H,8-9H2,1-2H3
InChIKeyBIJUXMCGIWEKHQ-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.23
Rot. Bonds5

About [5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol

[5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol (PubChem CID 115962124) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is [5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol
PubChem CID115962124
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name[5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol
SMILESCOc1ncccc1COc1c(C)cc(Br)cc1CO
InChIInChI=1S/C15H16BrNO3/c1-10-6-13(16)7-12(8-18)14(10)20-9-11-4-3-5-17-15(11)19-2/h3-7,18H,8-9H2,1-2H3
InChIKeyBIJUXMCGIWEKHQ-UHFFFAOYSA-N
XLogP3.23
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962216
(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 112620962
[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962142
[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol
CID 112620933
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
CID 112621072
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
1-[3,5-dibromo-4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 107741834
3-[[2-(aminomethyl)-4-bromo-6-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 115960853
[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
CID 112621176
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol?
The IUPAC name of [5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol (CID 115962124) is [5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol?
The canonical SMILES for [5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol is COc1ncccc1COc1c(C)cc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol?
The InChIKey is BIJUXMCGIWEKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-10-6-13(16)7-12(8-18)14(10)20-9-11-4-3-5-17-15(11)19-2/h3-7,18H,8-9H2,1-2H3.
What are the key properties of [5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol?
[5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol has a molecular weight of 338.20 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol is sourced from PubChem (CID 115962124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).