(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol

C11H13BrO — CID 124828711

IUPAC(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
SMILESC[C@H](O)[C@@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO/c1-7(13)10-6-11(10)8-2-4-9(12)5-3-8/h2-5,7,10-11,13H,6H2,1H3/t7-,10-,11-/m0/s1
InChIKeyWWMCQKXSZNIITD-SWPVVBRQSA-N
MW241.13 g/mol
LogP2.93
Rot. Bonds2

About (1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol

(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol (PubChem CID 124828711) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is (1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
PubChem CID124828711
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol
SMILESC[C@H](O)[C@@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO/c1-7(13)10-6-11(10)8-2-4-9(12)5-3-8/h2-5,7,10-11,13H,6H2,1H3/t7-,10-,11-/m0/s1
InChIKeyWWMCQKXSZNIITD-SWPVVBRQSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol
CID 28912369
(1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol
CID 28912216
(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol
CID 95002836
(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol
CID 92993338
2-[2-(4-bromophenyl)cyclopropyl]propanenitrile
CID 174683371
(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
CID 95002894
(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol
CID 95002839
(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol
CID 124747303
(1R)-1-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanol
CID 28912472
1-(2-thiophen-3-ylcyclopropyl)ethanol
CID 53275681
(1S)-1-[(1R,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552588
(1R)-1-[(1S,2R)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124669183

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol?
The IUPAC name of (1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol (CID 124828711) is (1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol.
What is the SMILES notation for (1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol?
The canonical SMILES for (1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol is C[C@H](O)[C@@H]1C[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol?
The InChIKey is WWMCQKXSZNIITD-SWPVVBRQSA-N. The full InChI is InChI=1S/C11H13BrO/c1-7(13)10-6-11(10)8-2-4-9(12)5-3-8/h2-5,7,10-11,13H,6H2,1H3/t7-,10-,11-/m0/s1.
What are the key properties of (1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol?
(1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol has a molecular weight of 241.13 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]ethanol is sourced from PubChem (CID 124828711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).