(2S)-2-chloro-1-phenylpropan-1-ol

C9H11ClO — CID 146730708

IUPAC(2S)-2-chloro-1-phenylpropan-1-ol
SMILESC[C@H](Cl)C(O)c1ccccc1
InChIInChI=1S/C9H11ClO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3/t7-,9?/m0/s1
InChIKeyUPFXSURABKQPFA-JAVCKPHESA-N
MW170.64 g/mol
LogP2.35
Rot. Bonds2

About (2S)-2-chloro-1-phenylpropan-1-ol

(2S)-2-chloro-1-phenylpropan-1-ol (PubChem CID 146730708) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is (2S)-2-chloro-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-chloro-1-phenylpropan-1-ol
PubChem CID146730708
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name(2S)-2-chloro-1-phenylpropan-1-ol
SMILESC[C@H](Cl)C(O)c1ccccc1
InChIInChI=1S/C9H11ClO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3/t7-,9?/m0/s1
InChIKeyUPFXSURABKQPFA-JAVCKPHESA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.35
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-diphenylethane-1,2-diol
CID 159073808
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
(1R)-2-chloro-2-fluoro-1-phenylethanol
CID 102153591
(1S)-1-phenylethanol
CID 157125626
[(1R)-1-chloroethyl]benzene
CID 642190
benzene;2-phenylethane-1,1,2-triol
CID 174439943
2-(methoxyamino)-1-phenylpropan-1-ol
CID 170043832
(3S,4S)-3,4-dihydroxy-4-phenylbutan-2-one
CID 101138777
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
CID 6922967
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-1-phenylpropan-1-ol?
The IUPAC name of (2S)-2-chloro-1-phenylpropan-1-ol (CID 146730708) is (2S)-2-chloro-1-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-chloro-1-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-chloro-1-phenylpropan-1-ol is C[C@H](Cl)C(O)c1ccccc1.
What is the InChIKey of (2S)-2-chloro-1-phenylpropan-1-ol?
The InChIKey is UPFXSURABKQPFA-JAVCKPHESA-N. The full InChI is InChI=1S/C9H11ClO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3/t7-,9?/m0/s1.
What are the key properties of (2S)-2-chloro-1-phenylpropan-1-ol?
(2S)-2-chloro-1-phenylpropan-1-ol has a molecular weight of 170.64 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-1-phenylpropan-1-ol is sourced from PubChem (CID 146730708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).