2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol

C15H21BrO — CID 66478373

IUPAC2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
SMILESCC1(C)C(C(O)Cc2cccc(Br)c2)C1(C)C
InChIInChI=1S/C15H21BrO/c1-14(2)13(15(14,3)4)12(17)9-10-6-5-7-11(16)8-10/h5-8,12-13,17H,9H2,1-4H3
InChIKeyBPMJAHPUNRTLSK-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.03
Rot. Bonds3

About 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol

2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol (PubChem CID 66478373) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
PubChem CID66478373
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
SMILESCC1(C)C(C(O)Cc2cccc(Br)c2)C1(C)C
InChIInChI=1S/C15H21BrO/c1-14(2)13(15(14,3)4)12(17)9-10-6-5-7-11(16)8-10/h5-8,12-13,17H,9H2,1-4H3
InChIKeyBPMJAHPUNRTLSK-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66476339
1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene
CID 66478431
2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol
CID 63411098
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
CID 64738018
5-(3-bromophenyl)-4-methylpentan-2-ol
CID 64719451
1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene
CID 107003144
1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862
2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 107894346
1-(3-bromophenyl)but-3-yn-2-ol
CID 115811161
1-(3-bromophenyl)-4-ethylhexan-2-ol
CID 82919634
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol (CID 66478373) is 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol is CC1(C)C(C(O)Cc2cccc(Br)c2)C1(C)C.
What is the InChIKey of 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The InChIKey is BPMJAHPUNRTLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-14(2)13(15(14,3)4)12(17)9-10-6-5-7-11(16)8-10/h5-8,12-13,17H,9H2,1-4H3.
What are the key properties of 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol has a molecular weight of 297.24 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol is sourced from PubChem (CID 66478373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).