(2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol

C13H20O2 — CID 165177100

IUPAC(2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol
SMILESCc1cc(C)cc([C@H](CO)CCCO)c1
InChIInChI=1S/C13H20O2/c1-10-6-11(2)8-13(7-10)12(9-15)4-3-5-14/h6-8,12,14-15H,3-5,9H2,1-2H3/t12-/m0/s1
InChIKeyXURDQZZGGSAGIH-LBPRGKRZSA-N
MW208.30 g/mol
LogP2.15
Rot. Bonds5

About (2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol

(2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol (PubChem CID 165177100) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol
PubChem CID165177100
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol
SMILESCc1cc(C)cc([C@H](CO)CCCO)c1
InChIInChI=1S/C13H20O2/c1-10-6-11(2)8-13(7-10)12(9-15)4-3-5-14/h6-8,12,14-15H,3-5,9H2,1-2H3/t12-/m0/s1
InChIKeyXURDQZZGGSAGIH-LBPRGKRZSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-2-(3-methylphenyl)butan-1-ol
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(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
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CID 107316866

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol?
The IUPAC name of (2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol (CID 165177100) is (2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol.
What is the SMILES notation for (2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol?
The canonical SMILES for (2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol is Cc1cc(C)cc([C@H](CO)CCCO)c1.
What is the InChIKey of (2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol?
The InChIKey is XURDQZZGGSAGIH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20O2/c1-10-6-11(2)8-13(7-10)12(9-15)4-3-5-14/h6-8,12,14-15H,3-5,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol?
(2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol has a molecular weight of 208.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol is sourced from PubChem (CID 165177100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).