4-(3,5-dimethylphenyl)hexane-1,2-diol

C14H22O2 — CID 83922430

IUPAC4-(3,5-dimethylphenyl)hexane-1,2-diol
SMILESCCC(CC(O)CO)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22O2/c1-4-12(8-14(16)9-15)13-6-10(2)5-11(3)7-13/h5-7,12,14-16H,4,8-9H2,1-3H3
InChIKeyOQBSOEOLGYZCHU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds5

About 4-(3,5-dimethylphenyl)hexane-1,2-diol

4-(3,5-dimethylphenyl)hexane-1,2-diol (PubChem CID 83922430) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)hexane-1,2-diol.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)hexane-1,2-diol
PubChem CID83922430
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-(3,5-dimethylphenyl)hexane-1,2-diol
SMILESCCC(CC(O)CO)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22O2/c1-4-12(8-14(16)9-15)13-6-10(2)5-11(3)7-13/h5-7,12,14-16H,4,8-9H2,1-3H3
InChIKeyOQBSOEOLGYZCHU-UHFFFAOYSA-N
XLogP2.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

4-(3,5-dichlorophenyl)hexane-1,2-diol
CID 83924877
4-(3,4-dimethylphenyl)hexane-1,2-diol
CID 83927968
4-(3,4-diethoxyphenyl)hexane-1,2-diol
CID 83923632
4-(2-chloro-4,5-dimethylphenyl)hexane-1,2-diol
CID 83931558
1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
CID 83924872
1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
CID 175315928
1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 63894692
(2R)-2-(3,5-dimethylphenyl)pentane-1,5-diol
CID 165177100
4-(3-propylsulfonylphenyl)hexane-1,2-diol
CID 83926774
4-(4-ethoxy-2,3,6-trimethylphenyl)hexane-1,2-diol
CID 83939525
4-(2,3,6-trichlorophenyl)hexane-1,2-diol
CID 83925200
4-(3-tert-butyl-4-propoxyphenyl)hexane-1,2-diol
CID 83934527

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)hexane-1,2-diol?
The IUPAC name of 4-(3,5-dimethylphenyl)hexane-1,2-diol (CID 83922430) is 4-(3,5-dimethylphenyl)hexane-1,2-diol.
What is the SMILES notation for 4-(3,5-dimethylphenyl)hexane-1,2-diol?
The canonical SMILES for 4-(3,5-dimethylphenyl)hexane-1,2-diol is CCC(CC(O)CO)c1cc(C)cc(C)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)hexane-1,2-diol?
The InChIKey is OQBSOEOLGYZCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-12(8-14(16)9-15)13-6-10(2)5-11(3)7-13/h5-7,12,14-16H,4,8-9H2,1-3H3.
What are the key properties of 4-(3,5-dimethylphenyl)hexane-1,2-diol?
4-(3,5-dimethylphenyl)hexane-1,2-diol has a molecular weight of 222.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)hexane-1,2-diol is sourced from PubChem (CID 83922430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).