(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol

C17H19BrO3 — CID 114329901

IUPAC(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)c(Br)c(C)c2)c(OC)c1
InChIInChI=1S/C17H19BrO3/c1-10-7-12(8-11(2)16(10)18)17(19)14-6-5-13(20-3)9-15(14)21-4/h5-9,17,19H,1-4H3
InChIKeyUODSMWLRNJESLU-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.16
Rot. Bonds4

About (4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol

(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol (PubChem CID 114329901) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
PubChem CID114329901
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)c(Br)c(C)c2)c(OC)c1
InChIInChI=1S/C17H19BrO3/c1-10-7-12(8-11(2)16(10)18)17(19)14-6-5-13(20-3)9-15(14)21-4/h5-9,17,19H,1-4H3
InChIKeyUODSMWLRNJESLU-UHFFFAOYSA-N
XLogP4.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802132
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 115566318
(S)-(2,4-dimethoxyphenyl)-(3-methyl-4-nitrophenyl)methanol
CID 100804148
(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
CID 81447590
(2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373623
(4-bromo-2-methoxyphenyl)-(2-chloro-4-methoxyphenyl)methanol
CID 115369750
(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol
CID 61087943
(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol
CID 105095945
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol (CID 114329901) is (4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol is COc1ccc(C(O)c2cc(C)c(Br)c(C)c2)c(OC)c1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol?
The InChIKey is UODSMWLRNJESLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-10-7-12(8-11(2)16(10)18)17(19)14-6-5-13(20-3)9-15(14)21-4/h5-9,17,19H,1-4H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol?
(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol has a molecular weight of 351.24 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 114329901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).