5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol

C18H26O2 — CID 170366594

IUPAC5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol
SMILESCCc1cc(O)c(CC2=C(C)CC(C)(C)CC2)c(O)c1
InChIInChI=1S/C18H26O2/c1-5-13-8-16(19)15(17(20)9-13)10-14-6-7-18(3,4)11-12(14)2/h8-9,19-20H,5-7,10-11H2,1-4H3
InChIKeyVEDIKTLNIKNHGS-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.73
Rot. Bonds3

About 5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol

5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol (PubChem CID 170366594) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol
PubChem CID170366594
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol
SMILESCCc1cc(O)c(CC2=C(C)CC(C)(C)CC2)c(O)c1
InChIInChI=1S/C18H26O2/c1-5-13-8-16(19)15(17(20)9-13)10-14-6-7-18(3,4)11-12(14)2/h8-9,19-20H,5-7,10-11H2,1-4H3
InChIKeyVEDIKTLNIKNHGS-UHFFFAOYSA-N
XLogP4.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2,4-dihydroxy-3-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzoic acid
CID 170366592
2,4-dihydroxy-6-(4-hydroxyphenyl)-3-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzoic acid
CID 170366803
2,4-dihydroxy-6-pentyl-3-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzoic acid
CID 170366459
5-[(4-ethylphenyl)methyl]-2-methylphenol
CID 54074755
3-butoxy-2,5-diethylphenol
CID 139788142
methane;1,2,4,4-tetramethylcyclohexene
CID 153358945
5-ethyl-2-fluoro-3-methylphenol
CID 89028057
5-(4-ethylphenyl)-2-methylphenol
CID 53218816
3-chloro-5-ethylbenzene-1,2-diol
CID 84654490
ethane;4-ethyl-2,6-dimethylphenol
CID 143343408
4-ethyl-2,6-dimethylphenol;methane
CID 159618487
(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene
CID 59224827

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol?
The IUPAC name of 5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol (CID 170366594) is 5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol.
What is the SMILES notation for 5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol?
The canonical SMILES for 5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol is CCc1cc(O)c(CC2=C(C)CC(C)(C)CC2)c(O)c1.
What is the InChIKey of 5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol?
The InChIKey is VEDIKTLNIKNHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-5-13-8-16(19)15(17(20)9-13)10-14-6-7-18(3,4)11-12(14)2/h8-9,19-20H,5-7,10-11H2,1-4H3.
What are the key properties of 5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol?
5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol has a molecular weight of 274.40 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2,4,4-trimethylcyclohexen-1-yl)methyl]benzene-1,3-diol is sourced from PubChem (CID 170366594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).