(2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol

C18H20O2 — CID 156844165

IUPAC(2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol
SMILESOC[C@H](c1cccc(OCc2ccccc2)c1)C1CC1
InChIInChI=1S/C18H20O2/c19-12-18(15-9-10-15)16-7-4-8-17(11-16)20-13-14-5-2-1-3-6-14/h1-8,11,15,18-19H,9-10,12-13H2/t18-/m0/s1
InChIKeyOLHSCLHVFXGLJA-SFHVURJKSA-N
MW268.36 g/mol
LogP3.75
Rot. Bonds6

About (2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol

(2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol (PubChem CID 156844165) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol
PubChem CID156844165
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol
SMILESOC[C@H](c1cccc(OCc2ccccc2)c1)C1CC1
InChIInChI=1S/C18H20O2/c19-12-18(15-9-10-15)16-7-4-8-17(11-16)20-13-14-5-2-1-3-6-14/h1-8,11,15,18-19H,9-10,12-13H2/t18-/m0/s1
InChIKeyOLHSCLHVFXGLJA-SFHVURJKSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclopropyl-1-(3-phenylmethoxyphenyl)pentan-3-one
CID 147124935
[2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethyl] methanesulfonate
CID 155342114
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1R)-2-cyclopropyl-1-(3-phenylmethoxyphenyl)ethanamine
CID 171211270
1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
CID 171281179
2-[(S)-dimethylamino-(3-phenylmethoxyphenyl)methyl]propane-1,3-diol
CID 129404171
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
CID 57452903
CID 57452903
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
CID 129362160

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol?
The IUPAC name of (2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol (CID 156844165) is (2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for (2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol?
The canonical SMILES for (2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol is OC[C@H](c1cccc(OCc2ccccc2)c1)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol?
The InChIKey is OLHSCLHVFXGLJA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20O2/c19-12-18(15-9-10-15)16-7-4-8-17(11-16)20-13-14-5-2-1-3-6-14/h1-8,11,15,18-19H,9-10,12-13H2/t18-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol?
(2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol has a molecular weight of 268.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 156844165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).