(1R,2R)-3-chloro-1-phenylpropane-1,2-diol

C9H11ClO2 — CID 129404895

IUPAC(1R,2R)-3-chloro-1-phenylpropane-1,2-diol
SMILESO[C@H](c1ccccc1)[C@@H](O)CCl
InChIInChI=1S/C9H11ClO2/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2/t8-,9+/m0/s1
InChIKeyUYKRRGHTJOUMLI-DTWKUNHWSA-N
MW186.64 g/mol
LogP1.32
Rot. Bonds3

About (1R,2R)-3-chloro-1-phenylpropane-1,2-diol

(1R,2R)-3-chloro-1-phenylpropane-1,2-diol (PubChem CID 129404895) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is (1R,2R)-3-chloro-1-phenylpropane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-3-chloro-1-phenylpropane-1,2-diol
PubChem CID129404895
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name(1R,2R)-3-chloro-1-phenylpropane-1,2-diol
SMILESO[C@H](c1ccccc1)[C@@H](O)CCl
InChIInChI=1S/C9H11ClO2/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2/t8-,9+/m0/s1
InChIKeyUYKRRGHTJOUMLI-DTWKUNHWSA-N
XLogP1.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-anilinophenyl)-3-chloropropane-1,2-diol
CID 171863014
1-[3-(bromomethyl)phenyl]-3-chloropropane-1,2-diol
CID 171863101
1,2-diphenylethane-1,2-diol
CID 159073808
(1S)-2-chloro-1-phenylethanol
CID 643323
2-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetic acid
CID 171862336
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
3-chloro-1-[3-(dimethylamino)phenyl]propane-1,2-diol
CID 171862083
3-chloro-1-(2-methylphenyl)propane-1,2-diol
CID 171861461
3-chloro-1-[4-(2-methoxyphenyl)phenyl]propane-1,2-diol
CID 171863230
benzene;2-phenylethane-1,1,2-triol
CID 174439943
(1R)-2-(chloromethyl)-3-methoxy-1-phenylpropan-1-ol
CID 140907423
3,4-dihydroxy-4-phenylbutanamide
CID 171898569

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-chloro-1-phenylpropane-1,2-diol?
The IUPAC name of (1R,2R)-3-chloro-1-phenylpropane-1,2-diol (CID 129404895) is (1R,2R)-3-chloro-1-phenylpropane-1,2-diol.
What is the SMILES notation for (1R,2R)-3-chloro-1-phenylpropane-1,2-diol?
The canonical SMILES for (1R,2R)-3-chloro-1-phenylpropane-1,2-diol is O[C@H](c1ccccc1)[C@@H](O)CCl.
What is the InChIKey of (1R,2R)-3-chloro-1-phenylpropane-1,2-diol?
The InChIKey is UYKRRGHTJOUMLI-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H11ClO2/c10-6-8(11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6H2/t8-,9+/m0/s1.
What are the key properties of (1R,2R)-3-chloro-1-phenylpropane-1,2-diol?
(1R,2R)-3-chloro-1-phenylpropane-1,2-diol has a molecular weight of 186.64 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-chloro-1-phenylpropane-1,2-diol is sourced from PubChem (CID 129404895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).