(2R)-2-chloro-2-phenylethanol

C8H9ClO — CID 12670779

IUPAC(2R)-2-chloro-2-phenylethanol
SMILESOC[C@H](Cl)c1ccccc1
InChIInChI=1S/C8H9ClO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m0/s1
InChIKeyWTGUAUVAXDZHJX-QMMMGPOBSA-N
MW156.61 g/mol
LogP1.96
Rot. Bonds2

About (2R)-2-chloro-2-phenylethanol

(2R)-2-chloro-2-phenylethanol (PubChem CID 12670779) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is (2R)-2-chloro-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-chloro-2-phenylethanol
PubChem CID12670779
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name(2R)-2-chloro-2-phenylethanol
SMILESOC[C@H](Cl)c1ccccc1
InChIInChI=1S/C8H9ClO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m0/s1
InChIKeyWTGUAUVAXDZHJX-QMMMGPOBSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-2-phenylethanol?
The IUPAC name of (2R)-2-chloro-2-phenylethanol (CID 12670779) is (2R)-2-chloro-2-phenylethanol.
What is the SMILES notation for (2R)-2-chloro-2-phenylethanol?
The canonical SMILES for (2R)-2-chloro-2-phenylethanol is OC[C@H](Cl)c1ccccc1.
What is the InChIKey of (2R)-2-chloro-2-phenylethanol?
The InChIKey is WTGUAUVAXDZHJX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9ClO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m0/s1.
What are the key properties of (2R)-2-chloro-2-phenylethanol?
(2R)-2-chloro-2-phenylethanol has a molecular weight of 156.61 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-2-phenylethanol is sourced from PubChem (CID 12670779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).