(1R)-2-chloro-1-phenylethanol

C8H9ClO — CID 7018857

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

About (1R)-2-chloro-1-phenylethanol

(1R)-2-chloro-1-phenylethanol (PubChem CID 7018857) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is (1R)-2-chloro-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-chloro-1-phenylethanol
PubChem CID7018857
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name(1R)-2-chloro-1-phenylethanol
SMILESO[C@@H](CCl)c1ccccc1
InChIInChI=1S/C8H9ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m0/s1
InChIKeyXWCQSILTDPAWDP-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 (1R)-2-chloro-1-phenylethanol?
The IUPAC name of (1R)-2-chloro-1-phenylethanol (CID 7018857) is (1R)-2-chloro-1-phenylethanol.
What is the SMILES notation for (1R)-2-chloro-1-phenylethanol?
The canonical SMILES for (1R)-2-chloro-1-phenylethanol is O[C@@H](CCl)c1ccccc1.
What is the InChIKey of (1R)-2-chloro-1-phenylethanol?
The InChIKey is XWCQSILTDPAWDP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m0/s1.
What are the key properties of (1R)-2-chloro-1-phenylethanol?
(1R)-2-chloro-1-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 (1R)-2-chloro-1-phenylethanol is sourced from PubChem (CID 7018857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).