4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol

C17H24O3 — CID 18414649

IUPAC4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol
SMILESC=CCOc1cc(C2(O)CCC(C)(C)CC2)ccc1O
InChIInChI=1S/C17H24O3/c1-4-11-20-15-12-13(5-6-14(15)18)17(19)9-7-16(2,3)8-10-17/h4-6,12,18-19H,1,7-11H2,2-3H3
InChIKeyCDYAZNMUMDXWTN-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.74
Rot. Bonds4

About 4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol

4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol (PubChem CID 18414649) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol.

Molecular Properties

Compound Name4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol
PubChem CID18414649
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol
SMILESC=CCOc1cc(C2(O)CCC(C)(C)CC2)ccc1O
InChIInChI=1S/C17H24O3/c1-4-11-20-15-12-13(5-6-14(15)18)17(19)9-7-16(2,3)8-10-17/h4-6,12,18-19H,1,7-11H2,2-3H3
InChIKeyCDYAZNMUMDXWTN-UHFFFAOYSA-N
XLogP3.74
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Eugenol
CID 3314
(-)-Secoisolariciresinol
CID 65373
Methoxyhydroxyphenylglycol
CID 10805
4-Propylguaiacol
CID 17739
Vanillyl alcohol
CID 62348
4-Ethylguaiacol
CID 62465
Propenyl Guaethol
CID 5354280
Triton X 100
CID 5590
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
Homovanillyl alcohol
CID 16928
3',7-Dihydroxy-2',4'-dimethoxyisoflavan
CID 4484949
Vanillyl Butyl Ether
CID 5084146

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol?
The IUPAC name of 4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol (CID 18414649) is 4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol.
What is the SMILES notation for 4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol?
The canonical SMILES for 4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol is C=CCOc1cc(C2(O)CCC(C)(C)CC2)ccc1O.
What is the InChIKey of 4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol?
The InChIKey is CDYAZNMUMDXWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-4-11-20-15-12-13(5-6-14(15)18)17(19)9-7-16(2,3)8-10-17/h4-6,12,18-19H,1,7-11H2,2-3H3.
What are the key properties of 4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol?
4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol has a molecular weight of 276.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol is sourced from PubChem (CID 18414649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).