[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol

C17H19BrO3 — CID 43627218

IUPAC[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol
SMILESCCOc1cc(CO)cc(Br)c1OCc1ccccc1C
InChIInChI=1S/C17H19BrO3/c1-3-20-16-9-13(10-19)8-15(18)17(16)21-11-14-7-5-4-6-12(14)2/h4-9,19H,3,10-11H2,1-2H3
InChIKeyYGVPAYJPTLIMEJ-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.23
Rot. Bonds6

About [3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol

[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol (PubChem CID 43627218) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is [3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol
PubChem CID43627218
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol
SMILESCCOc1cc(CO)cc(Br)c1OCc1ccccc1C
InChIInChI=1S/C17H19BrO3/c1-3-20-16-9-13(10-19)8-15(18)17(16)21-11-14-7-5-4-6-12(14)2/h4-9,19H,3,10-11H2,1-2H3
InChIKeyYGVPAYJPTLIMEJ-UHFFFAOYSA-N
XLogP4.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51994305
(2R)-1-[[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997132
(1S)-N-[[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51994295
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
(3-bromo-4-butoxy-5-ethoxyphenyl)methanol
CID 43627133
4-[[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 3252581
[3-bromo-5-ethoxy-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 43627156
(2S)-N-[[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51991300
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17289549
2-[2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17295117
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 4716038
(5Z)-5-[[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2169991

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol (CID 43627218) is [3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol is CCOc1cc(CO)cc(Br)c1OCc1ccccc1C.
What is the InChIKey of [3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol?
The InChIKey is YGVPAYJPTLIMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-3-20-16-9-13(10-19)8-15(18)17(16)21-11-14-7-5-4-6-12(14)2/h4-9,19H,3,10-11H2,1-2H3.
What are the key properties of [3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol?
[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol has a molecular weight of 351.24 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 43627218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).