2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol

C14H20O2 — CID 45093616

IUPAC2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol
SMILESCc1cc(O)cc(CC2CCCCC2)c1O
InChIInChI=1S/C14H20O2/c1-10-7-13(15)9-12(14(10)16)8-11-5-3-2-4-6-11/h7,9,11,15-16H,2-6,8H2,1H3
InChIKeyIMATWFOIBGZSRI-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.53
Rot. Bonds2

About 2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol

2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol (PubChem CID 45093616) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol
PubChem CID45093616
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol
SMILESCc1cc(O)cc(CC2CCCCC2)c1O
InChIInChI=1S/C14H20O2/c1-10-7-13(15)9-12(14(10)16)8-11-5-3-2-4-6-11/h7,9,11,15-16H,2-6,8H2,1H3
InChIKeyIMATWFOIBGZSRI-UHFFFAOYSA-N
XLogP3.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol?
The IUPAC name of 2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol (CID 45093616) is 2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol.
What is the SMILES notation for 2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol?
The canonical SMILES for 2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol is Cc1cc(O)cc(CC2CCCCC2)c1O.
What is the InChIKey of 2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol?
The InChIKey is IMATWFOIBGZSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-7-13(15)9-12(14(10)16)8-11-5-3-2-4-6-11/h7,9,11,15-16H,2-6,8H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol?
2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol has a molecular weight of 220.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol is sourced from PubChem (CID 45093616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).