(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol

C11H15ClO2 — CID 137375646

IUPAC(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
SMILESCCC[C@@H](O)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C11H15ClO2/c1-2-5-10(13)11(14)8-6-3-4-7-9(8)12/h3-4,6-7,10-11,13-14H,2,5H2,1H3/t10-,11-/m1/s1
InChIKeyQUQRTFIDGRHQMC-GHMZBOCLSA-N
MW214.69 g/mol
LogP2.53
Rot. Bonds4

About (1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol

(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol (PubChem CID 137375646) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is (1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
PubChem CID137375646
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
SMILESCCC[C@@H](O)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C11H15ClO2/c1-2-5-10(13)11(14)8-6-3-4-7-9(8)12/h3-4,6-7,10-11,13-14H,2,5H2,1H3/t10-,11-/m1/s1
InChIKeyQUQRTFIDGRHQMC-GHMZBOCLSA-N
XLogP2.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-methylpentan-1-ol
CID 63902435
1-chloro-2-(1-chlorobutyl)benzene
CID 18417584
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one
CID 15416358
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-chlorophenyl)butane-1-thiol
CID 57287441
5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268
1-(2-propan-2-yloxyphenyl)pentane-1,2-diol
CID 103454765
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
1-(2,3-difluorophenyl)pentane-1,2-diol
CID 103454950

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol?
The IUPAC name of (1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol (CID 137375646) is (1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol.
What is the SMILES notation for (1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol?
The canonical SMILES for (1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol is CCC[C@@H](O)[C@H](O)c1ccccc1Cl.
What is the InChIKey of (1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol?
The InChIKey is QUQRTFIDGRHQMC-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-2-5-10(13)11(14)8-6-3-4-7-9(8)12/h3-4,6-7,10-11,13-14H,2,5H2,1H3/t10-,11-/m1/s1.
What are the key properties of (1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol?
(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol has a molecular weight of 214.69 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol is sourced from PubChem (CID 137375646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).