4,6-dicyclohexylbenzene-1,3-diol

C18H26O2 — CID 3020817

IUPAC4,6-dicyclohexylbenzene-1,3-diol
SMILESOc1cc(O)c(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C18H26O2/c19-17-12-18(20)16(14-9-5-2-6-10-14)11-15(17)13-7-3-1-4-8-13/h11-14,19-20H,1-10H2
InChIKeyGYERJOGJSQRWET-UHFFFAOYSA-N
MW274.40 g/mol
LogP5.19
Rot. Bonds2

About 4,6-dicyclohexylbenzene-1,3-diol

4,6-dicyclohexylbenzene-1,3-diol (PubChem CID 3020817) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4,6-dicyclohexylbenzene-1,3-diol.

Molecular Properties

Compound Name4,6-dicyclohexylbenzene-1,3-diol
PubChem CID3020817
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name4,6-dicyclohexylbenzene-1,3-diol
SMILESOc1cc(O)c(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C18H26O2/c19-17-12-18(20)16(14-9-5-2-6-10-14)11-15(17)13-7-3-1-4-8-13/h11-14,19-20H,1-10H2
InChIKeyGYERJOGJSQRWET-UHFFFAOYSA-N
XLogP5.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.40
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Tapinarof
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2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
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CID 8398
Bisphenol C
CID 6620
Cannabigerol
CID 5315659
Trans-2,3',4,5'-tetrahydroxystilbene
CID 5281717
4,4'-Isopropylidenedi-2,6-xylol
CID 79717

Frequently Asked Questions

What is the IUPAC name of 4,6-dicyclohexylbenzene-1,3-diol?
The IUPAC name of 4,6-dicyclohexylbenzene-1,3-diol (CID 3020817) is 4,6-dicyclohexylbenzene-1,3-diol.
What is the SMILES notation for 4,6-dicyclohexylbenzene-1,3-diol?
The canonical SMILES for 4,6-dicyclohexylbenzene-1,3-diol is Oc1cc(O)c(C2CCCCC2)cc1C1CCCCC1.
What is the InChIKey of 4,6-dicyclohexylbenzene-1,3-diol?
The InChIKey is GYERJOGJSQRWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c19-17-12-18(20)16(14-9-5-2-6-10-14)11-15(17)13-7-3-1-4-8-13/h11-14,19-20H,1-10H2.
What are the key properties of 4,6-dicyclohexylbenzene-1,3-diol?
4,6-dicyclohexylbenzene-1,3-diol has a molecular weight of 274.40 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dicyclohexylbenzene-1,3-diol is sourced from PubChem (CID 3020817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).