2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol

C16H16Br2O3 — CID 142860318

IUPAC2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(Cc2cc(Br)cc(Br)c2C)c(OC)c1
InChIInChI=1S/C16H16Br2O3/c1-9-10(4-11(17)6-14(9)18)5-13-15(19)7-12(20-2)8-16(13)21-3/h4,6-8,19H,5H2,1-3H3
InChIKeyHEWAFRXMTHCKIN-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.83
Rot. Bonds4

About 2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol

2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol (PubChem CID 142860318) has the molecular formula C16H16Br2O3 and a molecular weight of 416.11 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol
PubChem CID142860318
Molecular FormulaC16H16Br2O3
Molecular Weight416.11 g/mol
Exact Mass413.95
IUPAC Name2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(Cc2cc(Br)cc(Br)c2C)c(OC)c1
InChIInChI=1S/C16H16Br2O3/c1-9-10(4-11(17)6-14(9)18)5-13-15(19)7-12(20-2)8-16(13)21-3/h4,6-8,19H,5H2,1-3H3
InChIKeyHEWAFRXMTHCKIN-UHFFFAOYSA-N
XLogP4.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid
CID 172824668
1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene
CID 22900363
4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 44611838
methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate
CID 154729409
2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
CID 117437716
1-(5-bromo-2-hydroxy-3-methoxy-6-methylphenyl)propan-2-one
CID 84713496
1-bromo-2-(isocyanatomethyl)-3,5-dimethoxybenzene
CID 117432552
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one
CID 54483282
5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol
CID 172870374
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-one
CID 117463007

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol?
The IUPAC name of 2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol (CID 142860318) is 2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol?
The canonical SMILES for 2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol is COc1cc(O)c(Cc2cc(Br)cc(Br)c2C)c(OC)c1.
What is the InChIKey of 2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol?
The InChIKey is HEWAFRXMTHCKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O3/c1-9-10(4-11(17)6-14(9)18)5-13-15(19)7-12(20-2)8-16(13)21-3/h4,6-8,19H,5H2,1-3H3.
What are the key properties of 2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol?
2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol has a molecular weight of 416.11 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 142860318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).