[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol

C12H18BrNO3 — CID 43622685

IUPAC[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OCCN(C)C
InChIInChI=1S/C12H18BrNO3/c1-14(2)4-5-17-12-10(13)6-9(8-15)7-11(12)16-3/h6-7,15H,4-5,8H2,1-3H3
InChIKeyZLDYIWLIAISMAY-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.89
Rot. Bonds6

About [3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol

[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol (PubChem CID 43622685) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is [3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
PubChem CID43622685
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OCCN(C)C
InChIInChI=1S/C12H18BrNO3/c1-14(2)4-5-17-12-10(13)6-9(8-15)7-11(12)16-3/h6-7,15H,4-5,8H2,1-3H3
InChIKeyZLDYIWLIAISMAY-UHFFFAOYSA-N
XLogP1.89
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-bromo-5-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
CID 112590025
5-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]pentanenitrile
CID 54966057
[3-bromo-4-(3-ethylsulfanylpropoxy)-5-methoxyphenyl]methanol
CID 113473758
methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
CID 43622677
3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62627586
2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 43626932
2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine
CID 43622229
[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162786
2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 107742092
1-bromo-5-(chloromethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 54935509
(3-bromo-4-butoxy-5-ethoxyphenyl)methanol
CID 43627133
5-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]pentan-1-ol
CID 55053052

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol?
The IUPAC name of [3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol (CID 43622685) is [3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol?
The canonical SMILES for [3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol is COc1cc(CO)cc(Br)c1OCCN(C)C.
What is the InChIKey of [3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol?
The InChIKey is ZLDYIWLIAISMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c1-14(2)4-5-17-12-10(13)6-9(8-15)7-11(12)16-3/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of [3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol?
[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol has a molecular weight of 304.18 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol is sourced from PubChem (CID 43622685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).