(2R)-5-phenylpentane-1,2-diol

C11H16O2 — CID 102483629

IUPAC(2R)-5-phenylpentane-1,2-diol
SMILESOC[C@H](O)CCCc1ccccc1
InChIInChI=1S/C11H16O2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-/m1/s1
InChIKeyOMHADALBVSQBDV-LLVKDONJSA-N
MW180.25 g/mol
LogP1.36
Rot. Bonds5

About (2R)-5-phenylpentane-1,2-diol

(2R)-5-phenylpentane-1,2-diol (PubChem CID 102483629) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2R)-5-phenylpentane-1,2-diol.

Molecular Properties

Compound Name(2R)-5-phenylpentane-1,2-diol
PubChem CID102483629
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2R)-5-phenylpentane-1,2-diol
SMILESOC[C@H](O)CCCc1ccccc1
InChIInChI=1S/C11H16O2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-/m1/s1
InChIKeyOMHADALBVSQBDV-LLVKDONJSA-N
XLogP1.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-7-phenylheptan-4-ol
CID 54140253
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
1-(dimethylamino)-5-phenylpentan-2-ol
CID 79087865
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
3-hydroxy-6-phenylhexanethioic S-acid
CID 87597942
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
5-phenyl-1-propylsulfanylpentan-2-ol
CID 65130251
(2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol
CID 145142002
(3R,5R)-8-phenyloct-1-ene-3,5-diol
CID 118075336
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664
1-methylsulfonyl-5-phenylpentan-2-ol
CID 15270511
1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393

Frequently Asked Questions

What is the IUPAC name of (2R)-5-phenylpentane-1,2-diol?
The IUPAC name of (2R)-5-phenylpentane-1,2-diol (CID 102483629) is (2R)-5-phenylpentane-1,2-diol.
What is the SMILES notation for (2R)-5-phenylpentane-1,2-diol?
The canonical SMILES for (2R)-5-phenylpentane-1,2-diol is OC[C@H](O)CCCc1ccccc1.
What is the InChIKey of (2R)-5-phenylpentane-1,2-diol?
The InChIKey is OMHADALBVSQBDV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-/m1/s1.
What are the key properties of (2R)-5-phenylpentane-1,2-diol?
(2R)-5-phenylpentane-1,2-diol has a molecular weight of 180.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-phenylpentane-1,2-diol is sourced from PubChem (CID 102483629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).