2,3-dimethyl-4-phenylpentane-1,3-diol

C13H20O2 — CID 141303157

IUPAC2,3-dimethyl-4-phenylpentane-1,3-diol
SMILESCC(CO)C(C)(O)C(C)c1ccccc1
InChIInChI=1S/C13H20O2/c1-10(9-14)13(3,15)11(2)12-7-5-4-6-8-12/h4-8,10-11,14-15H,9H2,1-3H3
InChIKeyUDNBDPOBCUAIJE-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.17
Rot. Bonds4

About 2,3-dimethyl-4-phenylpentane-1,3-diol

2,3-dimethyl-4-phenylpentane-1,3-diol (PubChem CID 141303157) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,3-dimethyl-4-phenylpentane-1,3-diol.

Molecular Properties

Compound Name2,3-dimethyl-4-phenylpentane-1,3-diol
PubChem CID141303157
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2,3-dimethyl-4-phenylpentane-1,3-diol
SMILESCC(CO)C(C)(O)C(C)c1ccccc1
InChIInChI=1S/C13H20O2/c1-10(9-14)13(3,15)11(2)12-7-5-4-6-8-12/h4-8,10-11,14-15H,9H2,1-3H3
InChIKeyUDNBDPOBCUAIJE-UHFFFAOYSA-N
XLogP2.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-phenylbutan-2-ol
CID 68615274
(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol
CID 10261932
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
1,1-dimethoxy-2-phenylpropan-1-ol
CID 102056743
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199
2-ethyl-2-hydroxy-3-phenylbutanoic acid
CID 79303573
N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine
CID 59419630
2,2,3-triphenylbutane-1,1,1-triol
CID 19424795
2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide
CID 167773618

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-phenylpentane-1,3-diol?
The IUPAC name of 2,3-dimethyl-4-phenylpentane-1,3-diol (CID 141303157) is 2,3-dimethyl-4-phenylpentane-1,3-diol.
What is the SMILES notation for 2,3-dimethyl-4-phenylpentane-1,3-diol?
The canonical SMILES for 2,3-dimethyl-4-phenylpentane-1,3-diol is CC(CO)C(C)(O)C(C)c1ccccc1.
What is the InChIKey of 2,3-dimethyl-4-phenylpentane-1,3-diol?
The InChIKey is UDNBDPOBCUAIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(9-14)13(3,15)11(2)12-7-5-4-6-8-12/h4-8,10-11,14-15H,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-4-phenylpentane-1,3-diol?
2,3-dimethyl-4-phenylpentane-1,3-diol has a molecular weight of 208.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-phenylpentane-1,3-diol is sourced from PubChem (CID 141303157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).