1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene

C13H16O — CID 11435403

IUPAC1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
SMILESCOc1ccc([C@H]2C=CCCC2)cc1
InChIInChI=1S/C13H16O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h3,5,7-11H,2,4,6H2,1H3/t11-/m0/s1
InChIKeyZSEFGUOTTSVFHA-NSHDSACASA-N
MW188.27 g/mol
LogP3.52
Rot. Bonds2

About 1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene

1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene (PubChem CID 11435403) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
PubChem CID11435403
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
SMILESCOc1ccc([C@H]2C=CCCC2)cc1
InChIInChI=1S/C13H16O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h3,5,7-11H,2,4,6H2,1H3/t11-/m0/s1
InChIKeyZSEFGUOTTSVFHA-NSHDSACASA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohex-2-en-1-ylphenol
CID 13414842
4-cyclohex-2-en-1-ylaniline
CID 3026820
1-[(1S)-cyclohex-2-en-1-yl]sulfanyl-4-methoxybenzene
CID 138984037
2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene
CID 11424515
1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene
CID 139334388
5-[(1R)-cyclohex-2-en-1-yl]-2-methylpyridine
CID 94035148
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene
CID 3064819
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
(1S)-N-benzyl-N-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-amine
CID 102357278
[(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane
CID 101214644
2-cyclopent-2-en-1-yl-4-methoxyphenol
CID 12507154

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene?
The IUPAC name of 1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene (CID 11435403) is 1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene?
The canonical SMILES for 1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene is COc1ccc([C@H]2C=CCCC2)cc1.
What is the InChIKey of 1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene?
The InChIKey is ZSEFGUOTTSVFHA-NSHDSACASA-N. The full InChI is InChI=1S/C13H16O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h3,5,7-11H,2,4,6H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene?
1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene has a molecular weight of 188.27 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene is sourced from PubChem (CID 11435403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).