(1S)-2-chloro-1-phenylethanol

C8H9ClO — CID 643323

IUPAC(1S)-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-/m1/s1
InChIKeyXWCQSILTDPAWDP-MRVPVSSYSA-N
MW156.61 g/mol
LogP1.96
Rot. Bonds2

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

(1S)-2-chloro-1-phenylethanol (PubChem CID 643323) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is (1S)-2-chloro-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-chloro-1-phenylethanol
PubChem CID643323
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name(1S)-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-/m1/s1
InChIKeyXWCQSILTDPAWDP-MRVPVSSYSA-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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Related Compounds

dichloromethane;1-phenylpropan-1-ol
CID 175142848
4-[(1S)-2-chloro-1-hydroxyethyl]phenol
CID 93341607
5-chloro-1-phenylpentan-1-ol
CID 14449235
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
(1R,2R)-3-chloro-1-phenylpropane-1,2-diol
CID 129404895
(1R)-2-chloro-1-(4-methylphenyl)ethanol
CID 79006103
6-chloro-1-phenylhexan-1-ol
CID 10398289
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
1-phenyl-2-phosphanylethanol
CID 572080
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
(1R)-1,2-diphenylethanol
CID 1379022
2-chloro-1-(3-iodophenyl)ethanol
CID 18938569

Frequently Asked Questions

What is the IUPAC name of (1S)-2-chloro-1-phenylethanol?
The IUPAC name of (1S)-2-chloro-1-phenylethanol (CID 643323) is (1S)-2-chloro-1-phenylethanol.
What is the SMILES notation for (1S)-2-chloro-1-phenylethanol?
The canonical SMILES for (1S)-2-chloro-1-phenylethanol is O[C@H](CCl)c1ccccc1.
What is the InChIKey of (1S)-2-chloro-1-phenylethanol?
The InChIKey is XWCQSILTDPAWDP-MRVPVSSYSA-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-/m1/s1.
What are the key properties of (1S)-2-chloro-1-phenylethanol?
(1S)-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 (1S)-2-chloro-1-phenylethanol is sourced from PubChem (CID 643323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).