5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene

C26H42O2 — CID 155724419

IUPAC5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene
SMILESC=CC.CCCCCCCCCCc1cc(O)c(C2C=C(C)CCC2)c(O)c1
InChIInChI=1S/C23H36O2.C3H6/c1-3-4-5-6-7-8-9-10-13-19-16-21(24)23(22(25)17-19)20-14-11-12-18(2)15-20;1-3-2/h15-17,20,24-25H,3-14H2,1-2H3;3H,1H2,2H3
InChIKeyHHZKKXGSLGSYNZ-UHFFFAOYSA-N
MW386.62 g/mol
LogP8.19
Rot. Bonds10

About 5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene

5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene (PubChem CID 155724419) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol. Its IUPAC name is 5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene.

Molecular Properties

Compound Name5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene
PubChem CID155724419
Molecular FormulaC26H42O2
Molecular Weight386.62 g/mol
Exact Mass386.32
IUPAC Name5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene
SMILESC=CC.CCCCCCCCCCc1cc(O)c(C2C=C(C)CCC2)c(O)c1
InChIInChI=1S/C23H36O2.C3H6/c1-3-4-5-6-7-8-9-10-13-19-16-21(24)23(22(25)17-19)20-14-11-12-18(2)15-20;1-3-2/h15-17,20,24-25H,3-14H2,1-2H3;3H,1H2,2H3
InChIKeyHHZKKXGSLGSYNZ-UHFFFAOYSA-N
XLogP8.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 58.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenyl] carbonochloridate;prop-1-ene
CID 156727455
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;prop-1-ene
CID 153373533
3-(chloromethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol
CID 156727476
2-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentyl-3-propan-2-yloxyphenol
CID 155575168
5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 164541251
3-ethyl-4-[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenoxy]azetidin-2-one;prop-1-ene
CID 155749030
3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol
CID 155461422
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 153373534
ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene
CID 172579088
5-heptyl-2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-methylphenol
CID 176660892
CID 164591569
CID 164591569
methyl N-[[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenoxy]methyl]-N-methylcarbamate
CID 155461256

Frequently Asked Questions

What is the IUPAC name of 5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene?
The IUPAC name of 5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene (CID 155724419) is 5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene.
What is the SMILES notation for 5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene?
The canonical SMILES for 5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene is C=CC.CCCCCCCCCCc1cc(O)c(C2C=C(C)CCC2)c(O)c1.
What is the InChIKey of 5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene?
The InChIKey is HHZKKXGSLGSYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O2.C3H6/c1-3-4-5-6-7-8-9-10-13-19-16-21(24)23(22(25)17-19)20-14-11-12-18(2)15-20;1-3-2/h15-17,20,24-25H,3-14H2,1-2H3;3H,1H2,2H3.
What are the key properties of 5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene?
5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene has a molecular weight of 386.62 g/mol, XLogP of 8.19, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene is sourced from PubChem (CID 155724419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).