[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol

C14H13BrClNO2 — CID 112620962

IUPAC[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCc1ccncc1Cl
InChIInChI=1S/C14H13BrClNO2/c1-9-4-12(15)5-11(7-18)14(9)19-8-10-2-3-17-6-13(10)16/h2-6,18H,7-8H2,1H3
InChIKeyIHCBCNVTGNWKDB-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.88
Rot. Bonds4

About [5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol

[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol (PubChem CID 112620962) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is [5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol
PubChem CID112620962
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCc1ccncc1Cl
InChIInChI=1S/C14H13BrClNO2/c1-9-4-12(15)5-11(7-18)14(9)19-8-10-2-3-17-6-13(10)16/h2-6,18H,7-8H2,1H3
InChIKeyIHCBCNVTGNWKDB-UHFFFAOYSA-N
XLogP3.88
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962142
[5-bromo-2-[(2-methoxy-3-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 115962124
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107742115
[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962216
[5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol
CID 112621150
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-1-(chloromethyl)-3-methylbenzene
CID 115962301
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine
CID 113302926
[5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol
CID 115962171

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol?
The IUPAC name of [5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol (CID 112620962) is [5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol?
The canonical SMILES for [5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol is Cc1cc(Br)cc(CO)c1OCc1ccncc1Cl.
What is the InChIKey of [5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol?
The InChIKey is IHCBCNVTGNWKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-9-4-12(15)5-11(7-18)14(9)19-8-10-2-3-17-6-13(10)16/h2-6,18H,7-8H2,1H3.
What are the key properties of [5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol?
[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol has a molecular weight of 342.62 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol is sourced from PubChem (CID 112620962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).