5-(3,5-dimethylphenyl)hexane-2,3-diol

C14H22O2 — CID 83922432

IUPAC5-(3,5-dimethylphenyl)hexane-2,3-diol
SMILESCc1cc(C)cc(C(C)CC(O)C(C)O)c1
InChIInChI=1S/C14H22O2/c1-9-5-10(2)7-13(6-9)11(3)8-14(16)12(4)15/h5-7,11-12,14-16H,8H2,1-4H3
InChIKeyUQEABWWYZBZFEM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds4

About 5-(3,5-dimethylphenyl)hexane-2,3-diol

5-(3,5-dimethylphenyl)hexane-2,3-diol (PubChem CID 83922432) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)hexane-2,3-diol.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)hexane-2,3-diol
PubChem CID83922432
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-(3,5-dimethylphenyl)hexane-2,3-diol
SMILESCc1cc(C)cc(C(C)CC(O)C(C)O)c1
InChIInChI=1S/C14H22O2/c1-9-5-10(2)7-13(6-9)11(3)8-14(16)12(4)15/h5-7,11-12,14-16H,8H2,1-4H3
InChIKeyUQEABWWYZBZFEM-UHFFFAOYSA-N
XLogP2.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
2-(3,5-dimethylphenyl)propan-1-amine
CID 79003874
5-(3-chlorophenyl)hexane-2,3-diol
CID 83924628
(1R,2R)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 130921857
(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 55295473
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
5-(4-propylphenyl)hexane-2,3-diol
CID 83921595
5-(2-chloro-4,5-dimethylphenyl)hexane-2,3-diol
CID 83931560
5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol
CID 83927137
2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol
CID 83928281
5-(5-methylthiophen-2-yl)hexane-2,3-diol
CID 83929345
methyl 3-(3,5-dimethylphenyl)butanoate
CID 171372815

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)hexane-2,3-diol?
The IUPAC name of 5-(3,5-dimethylphenyl)hexane-2,3-diol (CID 83922432) is 5-(3,5-dimethylphenyl)hexane-2,3-diol.
What is the SMILES notation for 5-(3,5-dimethylphenyl)hexane-2,3-diol?
The canonical SMILES for 5-(3,5-dimethylphenyl)hexane-2,3-diol is Cc1cc(C)cc(C(C)CC(O)C(C)O)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)hexane-2,3-diol?
The InChIKey is UQEABWWYZBZFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-5-10(2)7-13(6-9)11(3)8-14(16)12(4)15/h5-7,11-12,14-16H,8H2,1-4H3.
What are the key properties of 5-(3,5-dimethylphenyl)hexane-2,3-diol?
5-(3,5-dimethylphenyl)hexane-2,3-diol has a molecular weight of 222.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)hexane-2,3-diol is sourced from PubChem (CID 83922432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).