2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol

C22H34O2 — CID 155118805

IUPAC2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol
SMILESCCCCC(C)(C)c1cc(O)c(C2C=C(C)CCC2CC)c(O)c1
InChIInChI=1S/C22H34O2/c1-6-8-11-22(4,5)17-13-19(23)21(20(24)14-17)18-12-15(3)9-10-16(18)7-2/h12-14,16,18,23-24H,6-11H2,1-5H3
InChIKeyZHGLBEOUDVZTNR-UHFFFAOYSA-N
MW330.51 g/mol
LogP6.42
Rot. Bonds6

About 2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol

2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol (PubChem CID 155118805) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is 2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol
PubChem CID155118805
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol
SMILESCCCCC(C)(C)c1cc(O)c(C2C=C(C)CCC2CC)c(O)c1
InChIInChI=1S/C22H34O2/c1-6-8-11-22(4,5)17-13-19(23)21(20(24)14-17)18-12-15(3)9-10-16(18)7-2/h12-14,16,18,23-24H,6-11H2,1-5H3
InChIKeyZHGLBEOUDVZTNR-UHFFFAOYSA-N
XLogP6.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol with MolForge

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Related Compounds

5-(2-methylheptan-2-yl)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 118642871
(6aR,10aR)-6,9-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CID 170610367
(6aR,11aR)-6,6,10-trimethyl-3-(2-methyloctan-2-yl)-7,8,9,11a-tetrahydro-6aH-cyclohepta[c]chromen-1-ol
CID 22807631
2-[(1S,6S)-3-methyl-6-(2-methylprop-2-enyl)cyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 138509278
2-(4-cyclohexylcyclohexyl)-5-(2-methylhexan-2-yl)benzene-1,3-diol
CID 71664628
2-[2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-3-hydroxy-5-pentylphenoxy]acetic acid
CID 145469946
2-cyclohexyl-5-(2-methyloctan-2-yl)benzene-1,3-diol
CID 21087760
2-(4-hydroxy-3-methylcyclohex-2-en-1-yl)-5-(2-methyloctan-2-yl)benzene-1,3-diol;propane
CID 145231065
3-(2-methylhexan-2-yl)-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-ol
CID 12000709
9-(hydroxymethyl)-6,6-dimethyl-3-(2-methylhexan-2-yl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 168846263
2-(6-tert-butyl-3-methylcyclohex-2-en-1-yl)-5-fluorobenzene-1,3-diol
CID 123988848
2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol
CID 71712031

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol?
The IUPAC name of 2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol (CID 155118805) is 2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol.
What is the SMILES notation for 2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol?
The canonical SMILES for 2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol is CCCCC(C)(C)c1cc(O)c(C2C=C(C)CCC2CC)c(O)c1.
What is the InChIKey of 2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol?
The InChIKey is ZHGLBEOUDVZTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O2/c1-6-8-11-22(4,5)17-13-19(23)21(20(24)14-17)18-12-15(3)9-10-16(18)7-2/h12-14,16,18,23-24H,6-11H2,1-5H3.
What are the key properties of 2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol?
2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol has a molecular weight of 330.51 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-3-methylcyclohex-2-en-1-yl)-5-(2-methylhexan-2-yl)benzene-1,3-diol is sourced from PubChem (CID 155118805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).