[5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol

C17H19BrO2 — CID 63533092

IUPAC[5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
SMILESCc1cc(C)c(COc2ccc(Br)cc2CO)c(C)c1
InChIInChI=1S/C17H19BrO2/c1-11-6-12(2)16(13(3)7-11)10-20-17-5-4-15(18)8-14(17)9-19/h4-8,19H,9-10H2,1-3H3
InChIKeyBNEXJYNPZDVZGH-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.45
Rot. Bonds4

About [5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol

[5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol (PubChem CID 63533092) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is [5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
PubChem CID63533092
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name[5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
SMILESCc1cc(C)c(COc2ccc(Br)cc2CO)c(C)c1
InChIInChI=1S/C17H19BrO2/c1-11-6-12(2)16(13(3)7-11)10-20-17-5-4-15(18)8-14(17)9-19/h4-8,19H,9-10H2,1-3H3
InChIKeyBNEXJYNPZDVZGH-UHFFFAOYSA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3,5-trimethylbenzene
CID 63536019
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 107698387
2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene
CID 107284300
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 28825757
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
[5-bromo-2-(methoxymethoxy)phenyl]methanol
CID 54142346
[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
CID 65479250
(5-bromo-2-octoxyphenyl)methanol
CID 3459846
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dimethylbenzene
CID 63536193
[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
CID 63457710

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol?
The IUPAC name of [5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol (CID 63533092) is [5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol?
The canonical SMILES for [5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol is Cc1cc(C)c(COc2ccc(Br)cc2CO)c(C)c1.
What is the InChIKey of [5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol?
The InChIKey is BNEXJYNPZDVZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-11-6-12(2)16(13(3)7-11)10-20-17-5-4-15(18)8-14(17)9-19/h4-8,19H,9-10H2,1-3H3.
What are the key properties of [5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol?
[5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol has a molecular weight of 335.24 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 63533092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).