[3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol

C16H16Br2O3 — CID 107738736

IUPAC[3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol
SMILESCOc1ccc(CCOc2c(Br)cc(CO)cc2Br)cc1
InChIInChI=1S/C16H16Br2O3/c1-20-13-4-2-11(3-5-13)6-7-21-16-14(17)8-12(10-19)9-15(16)18/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyIEEZEOJCOUUZPX-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.33
Rot. Bonds6

About [3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol

[3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol (PubChem CID 107738736) has the molecular formula C16H16Br2O3 and a molecular weight of 416.11 g/mol. Its IUPAC name is [3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol
PubChem CID107738736
Molecular FormulaC16H16Br2O3
Molecular Weight416.11 g/mol
Exact Mass413.95
IUPAC Name[3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol
SMILESCOc1ccc(CCOc2c(Br)cc(CO)cc2Br)cc1
InChIInChI=1S/C16H16Br2O3/c1-20-13-4-2-11(3-5-13)6-7-21-16-14(17)8-12(10-19)9-15(16)18/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyIEEZEOJCOUUZPX-UHFFFAOYSA-N
XLogP4.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
CID 107739120
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine
CID 65430834
(4-methoxyphenyl)methanol
CID 7738
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
[3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol
CID 107738867
4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 107738999
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17158148
1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 43622745
[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]methanol
CID 65446582
[3-bromo-4-(2-phenylethoxy)phenyl]methanol
CID 63050620

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol?
The IUPAC name of [3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol (CID 107738736) is [3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol?
The canonical SMILES for [3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol is COc1ccc(CCOc2c(Br)cc(CO)cc2Br)cc1.
What is the InChIKey of [3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol?
The InChIKey is IEEZEOJCOUUZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O3/c1-20-13-4-2-11(3-5-13)6-7-21-16-14(17)8-12(10-19)9-15(16)18/h2-5,8-9,19H,6-7,10H2,1H3.
What are the key properties of [3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol?
[3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol has a molecular weight of 416.11 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol is sourced from PubChem (CID 107738736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).