2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol

C17H19BrO3 — CID 65327757

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2ccc(OC)c(C)c2)c1
InChIInChI=1S/C17H19BrO3/c1-11-8-12(4-7-17(11)21-3)16(19)10-13-9-14(20-2)5-6-15(13)18/h4-9,16,19H,10H2,1-3H3
InChIKeyMTIDSIXVVWJLMC-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.05
Rot. Bonds5

About 2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol

2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol (PubChem CID 65327757) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol
PubChem CID65327757
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2ccc(OC)c(C)c2)c1
InChIInChI=1S/C17H19BrO3/c1-11-8-12(4-7-17(11)21-3)16(19)10-13-9-14(20-2)5-6-15(13)18/h4-9,16,19H,10H2,1-3H3
InChIKeyMTIDSIXVVWJLMC-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-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511
2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081846
2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 114977277
[2-(2-bromo-5-methoxyphenyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105309449
2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105100016
2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 65327412
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 65327998
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
CID 81447590
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol (CID 65327757) is 2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol is COc1ccc(Br)c(CC(O)c2ccc(OC)c(C)c2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol?
The InChIKey is MTIDSIXVVWJLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-11-8-12(4-7-17(11)21-3)16(19)10-13-9-14(20-2)5-6-15(13)18/h4-9,16,19H,10H2,1-3H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol?
2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)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 2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol is sourced from PubChem (CID 65327757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).