4-cyclohexyl-5-methylbenzene-1,3-diol

C13H18O2 — CID 85471349

IUPAC4-cyclohexyl-5-methylbenzene-1,3-diol
SMILESCc1cc(O)cc(O)c1C1CCCCC1
InChIInChI=1S/C13H18O2/c1-9-7-11(14)8-12(15)13(9)10-5-3-2-4-6-10/h7-8,10,14-15H,2-6H2,1H3
InChIKeyNZLWYNBRWDATJO-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.45
Rot. Bonds1

About 4-cyclohexyl-5-methylbenzene-1,3-diol

4-cyclohexyl-5-methylbenzene-1,3-diol (PubChem CID 85471349) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-cyclohexyl-5-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-cyclohexyl-5-methylbenzene-1,3-diol
PubChem CID85471349
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name4-cyclohexyl-5-methylbenzene-1,3-diol
SMILESCc1cc(O)cc(O)c1C1CCCCC1
InChIInChI=1S/C13H18O2/c1-9-7-11(14)8-12(15)13(9)10-5-3-2-4-6-10/h7-8,10,14-15H,2-6H2,1H3
InChIKeyNZLWYNBRWDATJO-UHFFFAOYSA-N
XLogP3.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-methylbenzene-1,3-diol?
The IUPAC name of 4-cyclohexyl-5-methylbenzene-1,3-diol (CID 85471349) is 4-cyclohexyl-5-methylbenzene-1,3-diol.
What is the SMILES notation for 4-cyclohexyl-5-methylbenzene-1,3-diol?
The canonical SMILES for 4-cyclohexyl-5-methylbenzene-1,3-diol is Cc1cc(O)cc(O)c1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-methylbenzene-1,3-diol?
The InChIKey is NZLWYNBRWDATJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-7-11(14)8-12(15)13(9)10-5-3-2-4-6-10/h7-8,10,14-15H,2-6H2,1H3.
What are the key properties of 4-cyclohexyl-5-methylbenzene-1,3-diol?
4-cyclohexyl-5-methylbenzene-1,3-diol has a molecular weight of 206.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-methylbenzene-1,3-diol is sourced from PubChem (CID 85471349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).