(2R)-1-(4-chlorophenyl)propane-1,2-diol

C9H11ClO2 — CID 132594901

IUPAC(2R)-1-(4-chlorophenyl)propane-1,2-diol
SMILESC[C@@H](O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,11-12H,1H3/t6-,9?/m1/s1
InChIKeyQTPMIFXYDDBFAT-VJSCVCEBSA-N
MW186.64 g/mol
LogP1.75
Rot. Bonds2

About (2R)-1-(4-chlorophenyl)propane-1,2-diol

(2R)-1-(4-chlorophenyl)propane-1,2-diol (PubChem CID 132594901) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenyl)propane-1,2-diol
PubChem CID132594901
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name(2R)-1-(4-chlorophenyl)propane-1,2-diol
SMILESC[C@@H](O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,11-12H,1H3/t6-,9?/m1/s1
InChIKeyQTPMIFXYDDBFAT-VJSCVCEBSA-N
XLogP1.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol
CID 102550108
2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
CID 73115423
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
(1S,2R)-1-(4-chlorophenyl)-2-methylpropane-1,3-diol
CID 122579159
(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol
CID 129405029
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol
CID 14870787
1-(4-chlorophenyl)pentane-1,2-diol
CID 103454768
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-2-ol
CID 81352452

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenyl)propane-1,2-diol?
The IUPAC name of (2R)-1-(4-chlorophenyl)propane-1,2-diol (CID 132594901) is (2R)-1-(4-chlorophenyl)propane-1,2-diol.
What is the SMILES notation for (2R)-1-(4-chlorophenyl)propane-1,2-diol?
The canonical SMILES for (2R)-1-(4-chlorophenyl)propane-1,2-diol is C[C@@H](O)C(O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-(4-chlorophenyl)propane-1,2-diol?
The InChIKey is QTPMIFXYDDBFAT-VJSCVCEBSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,11-12H,1H3/t6-,9?/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenyl)propane-1,2-diol?
(2R)-1-(4-chlorophenyl)propane-1,2-diol has a molecular weight of 186.64 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenyl)propane-1,2-diol is sourced from PubChem (CID 132594901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).