3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol

C24H37FO2 — CID 146508229

IUPAC3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1cc(O)c(C2C=C(CF)CCC2)c(OCC)c1
InChIInChI=1S/C24H37FO2/c1-5-7-8-9-13-24(3,4)20-15-21(26)23(22(16-20)27-6-2)19-12-10-11-18(14-19)17-25/h14-16,19,26H,5-13,17H2,1-4H3
InChIKeyAANUPMWFXXSTSO-UHFFFAOYSA-N
MW376.56 g/mol
LogP7.20
Rot. Bonds10

About 3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol

3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol (PubChem CID 146508229) has the molecular formula C24H37FO2 and a molecular weight of 376.56 g/mol. Its IUPAC name is 3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol.

Molecular Properties

Compound Name3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol
PubChem CID146508229
Molecular FormulaC24H37FO2
Molecular Weight376.56 g/mol
Exact Mass376.28
IUPAC Name3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1cc(O)c(C2C=C(CF)CCC2)c(OCC)c1
InChIInChI=1S/C24H37FO2/c1-5-7-8-9-13-24(3,4)20-15-21(26)23(22(16-20)27-6-2)19-12-10-11-18(14-19)17-25/h14-16,19,26H,5-13,17H2,1-4H3
InChIKeyAANUPMWFXXSTSO-UHFFFAOYSA-N
XLogP7.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.56
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(ethoxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-(2-methyloctan-2-yl)benzene
CID 155461245
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
9-hydroxy-7-(2-methyloctan-2-yl)-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one
CID 57434787
(6aR,11aR)-6,6,10-trimethyl-3-(2-methyloctan-2-yl)-7,8,9,11a-tetrahydro-6aH-cyclohepta[c]chromen-1-ol
CID 22807631
N-cyclohexyl-2,6-dihydroxy-4-(2-methyloctan-2-yl)benzamide
CID 164538930
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
9-hydroxy-7-(2-methylheptan-2-yl)-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one
CID 12000974
[3-acetyloxy-2-cyclohex-2-en-1-yl-5-(2-methyloctan-2-yl)phenyl] acetate
CID 57434804
2-(5-methylidene-2-prop-1-en-2-ylcyclohexyl)-5-(2-methyloctan-2-yl)benzene-1,3-diol
CID 123506796
2-(4-cyclohexylcyclohexyl)-3-methoxy-5-(2-methylhexan-2-yl)phenol
CID 71712031
(6Z)-6-hydroxyimino-3-(2-methylheptan-2-yl)-7,8,9,9a-tetrahydro-5aH-dibenzofuran-1-ol
CID 12000975

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol?
The IUPAC name of 3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol (CID 146508229) is 3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol.
What is the SMILES notation for 3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol?
The canonical SMILES for 3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol is CCCCCCC(C)(C)c1cc(O)c(C2C=C(CF)CCC2)c(OCC)c1.
What is the InChIKey of 3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol?
The InChIKey is AANUPMWFXXSTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37FO2/c1-5-7-8-9-13-24(3,4)20-15-21(26)23(22(16-20)27-6-2)19-12-10-11-18(14-19)17-25/h14-16,19,26H,5-13,17H2,1-4H3.
What are the key properties of 3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol?
3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol has a molecular weight of 376.56 g/mol, XLogP of 7.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[3-(fluoromethyl)cyclohex-2-en-1-yl]-5-(2-methyloctan-2-yl)phenol is sourced from PubChem (CID 146508229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).