1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol

C17H19BrO3 — CID 65434522

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(Br)c(C)cc2OC)cc1
InChIInChI=1S/C17H19BrO3/c1-11-8-17(21-3)14(10-15(11)18)16(19)9-12-4-6-13(20-2)7-5-12/h4-8,10,16,19H,9H2,1-3H3
InChIKeyRHTIQNICAGVAKF-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.05
Rot. Bonds5

About 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol

1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol (PubChem CID 65434522) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
PubChem CID65434522
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(Br)c(C)cc2OC)cc1
InChIInChI=1S/C17H19BrO3/c1-11-8-17(21-3)14(10-15(11)18)16(19)9-12-4-6-13(20-2)7-5-12/h4-8,10,16,19H,9H2,1-3H3
InChIKeyRHTIQNICAGVAKF-UHFFFAOYSA-N
XLogP4.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 65434708
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 103395965
1-bromo-5-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432015
1-(2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 62537327
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 65438765
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
CID 81473232
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 104661097

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol (CID 65434522) is 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol is COc1ccc(CC(O)c2cc(Br)c(C)cc2OC)cc1.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol?
The InChIKey is RHTIQNICAGVAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-11-8-17(21-3)14(10-15(11)18)16(19)9-12-4-6-13(20-2)7-5-12/h4-8,10,16,19H,9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol?
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol has a molecular weight of 351.24 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 65434522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).