2,6-dicyclohexyl-3-methylphenol

C19H28O — CID 3022567

IUPAC2,6-dicyclohexyl-3-methylphenol
SMILESCc1ccc(C2CCCCC2)c(O)c1C1CCCCC1
InChIInChI=1S/C19H28O/c1-14-12-13-17(15-8-4-2-5-9-15)19(20)18(14)16-10-6-3-7-11-16/h12-13,15-16,20H,2-11H2,1H3
InChIKeyMNMFNWIRHMYXIX-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.80
Rot. Bonds2

About 2,6-dicyclohexyl-3-methylphenol

2,6-dicyclohexyl-3-methylphenol (PubChem CID 3022567) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 2,6-dicyclohexyl-3-methylphenol.

Molecular Properties

Compound Name2,6-dicyclohexyl-3-methylphenol
PubChem CID3022567
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name2,6-dicyclohexyl-3-methylphenol
SMILESCc1ccc(C2CCCCC2)c(O)c1C1CCCCC1
InChIInChI=1S/C19H28O/c1-14-12-13-17(15-8-4-2-5-9-15)19(20)18(14)16-10-6-3-7-11-16/h12-13,15-16,20H,2-11H2,1H3
InChIKeyMNMFNWIRHMYXIX-UHFFFAOYSA-N
XLogP5.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclohexyl-3-methylphenol?
The IUPAC name of 2,6-dicyclohexyl-3-methylphenol (CID 3022567) is 2,6-dicyclohexyl-3-methylphenol.
What is the SMILES notation for 2,6-dicyclohexyl-3-methylphenol?
The canonical SMILES for 2,6-dicyclohexyl-3-methylphenol is Cc1ccc(C2CCCCC2)c(O)c1C1CCCCC1.
What is the InChIKey of 2,6-dicyclohexyl-3-methylphenol?
The InChIKey is MNMFNWIRHMYXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-14-12-13-17(15-8-4-2-5-9-15)19(20)18(14)16-10-6-3-7-11-16/h12-13,15-16,20H,2-11H2,1H3.
What are the key properties of 2,6-dicyclohexyl-3-methylphenol?
2,6-dicyclohexyl-3-methylphenol has a molecular weight of 272.43 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dicyclohexyl-3-methylphenol is sourced from PubChem (CID 3022567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).