ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene

C19H30O2 — CID 172579088

IUPACethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene
SMILESC=CC.CC.CC1=C[C@@H](c2c(O)cc(C)cc2O)CCC1
InChIInChI=1S/C14H18O2.C3H6.C2H6/c1-9-4-3-5-11(6-9)14-12(15)7-10(2)8-13(14)16;1-3-2;1-2/h6-8,11,15-16H,3-5H2,1-2H3;3H,1H2,2H3;1-2H3/t11-;;/m0../s1
InChIKeySNTRYQVDLJRPNP-IDMXKUIJSA-N
MW290.45 g/mol
LogP5.84
Rot. Bonds1

About ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene

ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene (PubChem CID 172579088) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene.

Molecular Properties

Compound Nameethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene
PubChem CID172579088
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Nameethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene
SMILESC=CC.CC.CC1=C[C@@H](c2c(O)cc(C)cc2O)CCC1
InChIInChI=1S/C14H18O2.C3H6.C2H6/c1-9-4-3-5-11(6-9)14-12(15)7-10(2)8-13(14)16;1-3-2;1-2/h6-8,11,15-16H,3-5H2,1-2H3;3H,1H2,2H3;1-2H3/t11-;;/m0../s1
InChIKeySNTRYQVDLJRPNP-IDMXKUIJSA-N
XLogP5.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;5-methyl-2-[(1S)-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

5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene
CID 155724419
2-(3-methylcyclohex-2-en-1-yl)-5-(4-methylphenyl)sulfanyloxybenzene-1,3-diol;prop-1-ene
CID 155724421
5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 164541251
5-[(Z)-1-amino-3-ethyliminoprop-1-en-2-yl]-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene
CID 164531177
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;prop-1-ene
CID 153373533
5-cyclohexyl-3-(ethenoxymethyl)-2-(3-methylcyclohex-2-en-1-yl)phenol
CID 177218838
5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene
CID 172579099
2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide
CID 156715882
[3-acetyloxy-5-methyl-2-(3-methylcyclohex-2-en-1-yl)phenyl] acetate
CID 155118823
[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenyl] carbonochloridate;prop-1-ene
CID 156727455
ethane;5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,3-diol;prop-1-ene
CID 172579152
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 153373534

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene?
The IUPAC name of ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene (CID 172579088) is ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene.
What is the SMILES notation for ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene?
The canonical SMILES for ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene is C=CC.CC.CC1=C[C@@H](c2c(O)cc(C)cc2O)CCC1.
What is the InChIKey of ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene?
The InChIKey is SNTRYQVDLJRPNP-IDMXKUIJSA-N. The full InChI is InChI=1S/C14H18O2.C3H6.C2H6/c1-9-4-3-5-11(6-9)14-12(15)7-10(2)8-13(14)16;1-3-2;1-2/h6-8,11,15-16H,3-5H2,1-2H3;3H,1H2,2H3;1-2H3/t11-;;/m0../s1.
What are the key properties of ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene?
ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene has a molecular weight of 290.45 g/mol, XLogP of 5.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene is sourced from PubChem (CID 172579088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).