4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol

C16H17BrO4 — CID 103522937

IUPAC4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol
SMILESCOc1ccc(C(C)(O)c2ccc(O)cc2)c(OC)c1Br
InChIInChI=1S/C16H17BrO4/c1-16(19,10-4-6-11(18)7-5-10)12-8-9-13(20-2)14(17)15(12)21-3/h4-9,18-19H,1-3H3
InChIKeySVOTUGHKCWVXLP-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.43
Rot. Bonds4

About 4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol

4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol (PubChem CID 103522937) has the molecular formula C16H17BrO4 and a molecular weight of 353.21 g/mol. Its IUPAC name is 4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol
PubChem CID103522937
Molecular FormulaC16H17BrO4
Molecular Weight353.21 g/mol
Exact Mass352.03
IUPAC Name4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol
SMILESCOc1ccc(C(C)(O)c2ccc(O)cc2)c(OC)c1Br
InChIInChI=1S/C16H17BrO4/c1-16(19,10-4-6-11(18)7-5-10)12-8-9-13(20-2)14(17)15(12)21-3/h4-9,18-19H,1-3H3
InChIKeySVOTUGHKCWVXLP-UHFFFAOYSA-N
XLogP3.43
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol
CID 103522810
2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol
CID 103524091
2-(5-bromo-6-methoxynaphthalen-2-yl)-2-hydroxypropanenitrile
CID 21494940
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine
CID 103523005
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 103524210
1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine
CID 103522997
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine
CID 103524211
2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine
CID 103523035
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)-3,3,3-trifluoropropanoic acid
CID 103523841
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol?
The IUPAC name of 4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol (CID 103522937) is 4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol is COc1ccc(C(C)(O)c2ccc(O)cc2)c(OC)c1Br.
What is the InChIKey of 4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol?
The InChIKey is SVOTUGHKCWVXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO4/c1-16(19,10-4-6-11(18)7-5-10)12-8-9-13(20-2)14(17)15(12)21-3/h4-9,18-19H,1-3H3.
What are the key properties of 4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol?
4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol has a molecular weight of 353.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol is sourced from PubChem (CID 103522937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).