5-(2-methoxy-6-methylphenyl)pentane-2,3-diol

C13H20O3 — CID 83923964

IUPAC5-(2-methoxy-6-methylphenyl)pentane-2,3-diol
SMILESCOc1cccc(C)c1CCC(O)C(C)O
InChIInChI=1S/C13H20O3/c1-9-5-4-6-13(16-3)11(9)7-8-12(15)10(2)14/h4-6,10,12,14-15H,7-8H2,1-3H3
InChIKeyJPACOIUCTJTUDS-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.68
Rot. Bonds5

About 5-(2-methoxy-6-methylphenyl)pentane-2,3-diol

5-(2-methoxy-6-methylphenyl)pentane-2,3-diol (PubChem CID 83923964) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(2-methoxy-6-methylphenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(2-methoxy-6-methylphenyl)pentane-2,3-diol
PubChem CID83923964
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name5-(2-methoxy-6-methylphenyl)pentane-2,3-diol
SMILESCOc1cccc(C)c1CCC(O)C(C)O
InChIInChI=1S/C13H20O3/c1-9-5-4-6-13(16-3)11(9)7-8-12(15)10(2)14/h4-6,10,12,14-15H,7-8H2,1-3H3
InChIKeyJPACOIUCTJTUDS-UHFFFAOYSA-N
XLogP1.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838
2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine
CID 83923856
5-(2-methoxyphenyl)pentane-2,3-diol
CID 83929090
3-methoxy-2-(3-methylbutyl)phenol
CID 141105088
5-(2,3-dimethylphenyl)pentane-2,3-diol
CID 83922085
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol
CID 116811120
1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene
CID 83923935
2-butyl-1,3-dimethoxybenzene
CID 524840
5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893
1,3-dimethyl-2-(3-methylbutyl)benzene
CID 59833052
5-(3-chloro-4-methoxyphenyl)pentane-2,3-diol
CID 83928573
1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol
CID 10519354

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-6-methylphenyl)pentane-2,3-diol?
The IUPAC name of 5-(2-methoxy-6-methylphenyl)pentane-2,3-diol (CID 83923964) is 5-(2-methoxy-6-methylphenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(2-methoxy-6-methylphenyl)pentane-2,3-diol?
The canonical SMILES for 5-(2-methoxy-6-methylphenyl)pentane-2,3-diol is COc1cccc(C)c1CCC(O)C(C)O.
What is the InChIKey of 5-(2-methoxy-6-methylphenyl)pentane-2,3-diol?
The InChIKey is JPACOIUCTJTUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9-5-4-6-13(16-3)11(9)7-8-12(15)10(2)14/h4-6,10,12,14-15H,7-8H2,1-3H3.
What are the key properties of 5-(2-methoxy-6-methylphenyl)pentane-2,3-diol?
5-(2-methoxy-6-methylphenyl)pentane-2,3-diol has a molecular weight of 224.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-6-methylphenyl)pentane-2,3-diol is sourced from PubChem (CID 83923964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).