1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene

C15H20O3 — CID 89431586

IUPAC1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene
SMILESCOc1ccc([C@@H]2CC=CCC2)c(OC)c1OC
InChIInChI=1S/C15H20O3/c1-16-13-10-9-12(11-7-5-4-6-8-11)14(17-2)15(13)18-3/h4-5,9-11H,6-8H2,1-3H3/t11-/m1/s1
InChIKeyAEWIJVBJSYPPDR-LLVKDONJSA-N
MW248.32 g/mol
LogP3.54
Rot. Bonds4

About 1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene

1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene (PubChem CID 89431586) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene.

Molecular Properties

Compound Name1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene
PubChem CID89431586
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene
SMILESCOc1ccc([C@@H]2CC=CCC2)c(OC)c1OC
InChIInChI=1S/C15H20O3/c1-16-13-10-9-12(11-7-5-4-6-8-11)14(17-2)15(13)18-3/h4-5,9-11H,6-8H2,1-3H3/t11-/m1/s1
InChIKeyAEWIJVBJSYPPDR-LLVKDONJSA-N
XLogP3.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohex-3-en-1-yl-5,6,7-trimethoxy-2-methylquinoline
CID 135341261
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
3-methyl-5-(2,3,4-trimethoxyphenyl)cyclohex-2-en-1-one
CID 165355625
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
1-[2-(chloromethyl)cyclopropyl]-2,3,4-trimethoxybenzene
CID 81358770
N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 124607013
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 806654
(NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine
CID 5380531
2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide
CID 56973896
3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117377277

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene?
The IUPAC name of 1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene (CID 89431586) is 1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene.
What is the SMILES notation for 1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene?
The canonical SMILES for 1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene is COc1ccc([C@@H]2CC=CCC2)c(OC)c1OC.
What is the InChIKey of 1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene?
The InChIKey is AEWIJVBJSYPPDR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20O3/c1-16-13-10-9-12(11-7-5-4-6-8-11)14(17-2)15(13)18-3/h4-5,9-11H,6-8H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene?
1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene has a molecular weight of 248.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-cyclohex-3-en-1-yl]-2,3,4-trimethoxybenzene is sourced from PubChem (CID 89431586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).