1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol

C14H21BrO3 — CID 114228340

IUPAC1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(Br)c(CC(C)(O)C(C)(C)OC)c1
InChIInChI=1S/C14H21BrO3/c1-13(2,18-5)14(3,16)9-10-8-11(17-4)6-7-12(10)15/h6-8,16H,9H2,1-5H3
InChIKeyAOONOMSRONFSKF-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.18
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol

1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol (PubChem CID 114228340) has the molecular formula C14H21BrO3 and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol
PubChem CID114228340
Molecular FormulaC14H21BrO3
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(Br)c(CC(C)(O)C(C)(C)OC)c1
InChIInChI=1S/C14H21BrO3/c1-13(2,18-5)14(3,16)9-10-8-11(17-4)6-7-12(10)15/h6-8,16H,9H2,1-5H3
InChIKeyAOONOMSRONFSKF-UHFFFAOYSA-N
XLogP3.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol
CID 65327501
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
3-(2-bromo-5-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 65379304
2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
CID 66060635
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutanoic acid
CID 65322994
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 82776853
2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-[(2-bromo-5-methoxyphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450805
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-(2-bromo-5-methoxyphenyl)-2-(4-fluorophenyl)propan-2-amine
CID 65327715

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol (CID 114228340) is 1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol is COc1ccc(Br)c(CC(C)(O)C(C)(C)OC)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol?
The InChIKey is AOONOMSRONFSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO3/c1-13(2,18-5)14(3,16)9-10-8-11(17-4)6-7-12(10)15/h6-8,16H,9H2,1-5H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol?
1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol has a molecular weight of 317.22 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114228340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).