2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol

C16H23BrO2 — CID 115801475

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)C2C(C)(C)C2(C)C)c1
InChIInChI=1S/C16H23BrO2/c1-15(2)14(16(15,3)4)13(18)9-10-8-11(19-5)6-7-12(10)17/h6-8,13-14,18H,9H2,1-5H3
InChIKeySJESMPISHLYXHQ-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.04
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol

2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol (PubChem CID 115801475) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
PubChem CID115801475
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
SMILESCOc1ccc(Br)c(CC(O)C2C(C)(C)C2(C)C)c1
InChIInChI=1S/C16H23BrO2/c1-15(2)14(16(15,3)4)13(18)9-10-8-11(19-5)6-7-12(10)17/h6-8,13-14,18H,9H2,1-5H3
InChIKeySJESMPISHLYXHQ-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115862299
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401737
2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
CID 65327756
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274
1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 116752716
1-(2-bromo-5-methoxyphenyl)-4-methoxy-3-methylbutan-2-ol
CID 116502554
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol
CID 65327514
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol (CID 115801475) is 2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol is COc1ccc(Br)c(CC(O)C2C(C)(C)C2(C)C)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The InChIKey is SJESMPISHLYXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-15(2)14(16(15,3)4)13(18)9-10-8-11(19-5)6-7-12(10)17/h6-8,13-14,18H,9H2,1-5H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol has a molecular weight of 327.26 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol is sourced from PubChem (CID 115801475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).