5-methylbenzene-1,3-diol;propane

C10H16O2 — CID 70587781

IUPAC5-methylbenzene-1,3-diol;propane
SMILESCCC.Cc1cc(O)cc(O)c1
InChIInChI=1S/C7H8O2.C3H8/c1-5-2-6(8)4-7(9)3-5;1-3-2/h2-4,8-9H,1H3;3H2,1-2H3
InChIKeyJVWCFNCDYCRYEI-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.82
Rot. Bonds

About 5-methylbenzene-1,3-diol;propane

5-methylbenzene-1,3-diol;propane (PubChem CID 70587781) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-methylbenzene-1,3-diol;propane.

Molecular Properties

Compound Name5-methylbenzene-1,3-diol;propane
PubChem CID70587781
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-methylbenzene-1,3-diol;propane
SMILESCCC.Cc1cc(O)cc(O)c1
InChIInChI=1S/C7H8O2.C3H8/c1-5-2-6(8)4-7(9)3-5;1-3-2/h2-4,8-9H,1H3;3H2,1-2H3
InChIKeyJVWCFNCDYCRYEI-UHFFFAOYSA-N
XLogP2.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene-1,3,5-triol;1,3,5-trimethylbenzene
CID 175059565
CID 175809990
CID 175809990
carbanide;3,5-dimethylphenol;titanium(2+)
CID 174659955
bis(5-methylbenzene-1,3-diol);pyrazine
CID 139147343
3-(ethylamino)-5-methylphenol
CID 15404865
5-(hydroxymethyl)benzene-1,3-diol;propane
CID 171649400
benzene-1,3,5-triol
CID 359
3,5-dimethylphenol;fluoro(pentan-3-ylidene)titanium;dihydrochloride
CID 87576457
3-methyl-5-prop-1-enylphenol
CID 150421190
5-(trideuteriomethyl)benzene-1,3-diol
CID 167362662
bis(5-methylbenzene-1,3-diol);quinoxaline
CID 139147357
3-[[ethyl(iodo)amino]methyl]-5-methylphenol
CID 143282615

Frequently Asked Questions

What is the IUPAC name of 5-methylbenzene-1,3-diol;propane?
The IUPAC name of 5-methylbenzene-1,3-diol;propane (CID 70587781) is 5-methylbenzene-1,3-diol;propane.
What is the SMILES notation for 5-methylbenzene-1,3-diol;propane?
The canonical SMILES for 5-methylbenzene-1,3-diol;propane is CCC.Cc1cc(O)cc(O)c1.
What is the InChIKey of 5-methylbenzene-1,3-diol;propane?
The InChIKey is JVWCFNCDYCRYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C3H8/c1-5-2-6(8)4-7(9)3-5;1-3-2/h2-4,8-9H,1H3;3H2,1-2H3.
What are the key properties of 5-methylbenzene-1,3-diol;propane?
5-methylbenzene-1,3-diol;propane has a molecular weight of 168.24 g/mol, XLogP of 2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbenzene-1,3-diol;propane is sourced from PubChem (CID 70587781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).