(S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol

C17H17BrO — CID 6933101

IUPAC(S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol
SMILESC[C@]1(c2ccccc2)C[C@]1(Br)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H17BrO/c1-16(14-10-6-3-7-11-14)12-17(16,18)15(19)13-8-4-2-5-9-13/h2-11,15,19H,12H2,1H3/t15-,16+,17-/m0/s1
InChIKeyPDOVJOSTBJWXKE-BBWFWOEESA-N
MW317.23 g/mol
LogP4.22
Rot. Bonds3

About (S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol

(S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol (PubChem CID 6933101) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is (S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol
PubChem CID6933101
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name(S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol
SMILESC[C@]1(c2ccccc2)C[C@]1(Br)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H17BrO/c1-16(14-10-6-3-7-11-14)12-17(16,18)15(19)13-8-4-2-5-9-13/h2-11,15,19H,12H2,1H3/t15-,16+,17-/m0/s1
InChIKeyPDOVJOSTBJWXKE-BBWFWOEESA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
phenyl-(3-phenyloxaziridin-3-yl)methanol
CID 88777993
(R)-[(1S)-2,2-diphenyl-1-trimethylsilylcyclopropyl]-phenylmethanol
CID 99771519
(R)-phenyl-(2-phenyl-1,3-dioxolan-2-yl)methanol
CID 41097603
5-[hydroxy(phenyl)methyl]-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
CID 14493359
(1,3-dibromo-3-methylcyclobutyl)benzene
CID 134897738
(R)-[(2S,3S)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
CID 134930519
(R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
CID 134931163
trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride
CID 126795409
(S)-[(1S,6S)-7-bromo-7-bicyclo[4.1.0]heptanyl]-phenylmethanol
CID 7036761
[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol
CID 162276045

Frequently Asked Questions

What is the IUPAC name of (S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol?
The IUPAC name of (S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol (CID 6933101) is (S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol.
What is the SMILES notation for (S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol?
The canonical SMILES for (S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol is C[C@]1(c2ccccc2)C[C@]1(Br)[C@@H](O)c1ccccc1.
What is the InChIKey of (S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol?
The InChIKey is PDOVJOSTBJWXKE-BBWFWOEESA-N. The full InChI is InChI=1S/C17H17BrO/c1-16(14-10-6-3-7-11-14)12-17(16,18)15(19)13-8-4-2-5-9-13/h2-11,15,19H,12H2,1H3/t15-,16+,17-/m0/s1.
What are the key properties of (S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol?
(S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol has a molecular weight of 317.23 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol is sourced from PubChem (CID 6933101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).