2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene

C14H18O2 — CID 11424515

IUPAC2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1C1C=CCCC1
InChIInChI=1S/C14H18O2/c1-15-12-9-6-10-13(16-2)14(12)11-7-4-3-5-8-11/h4,6-7,9-11H,3,5,8H2,1-2H3
InChIKeyKNCVWGZUOBHEID-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.53
Rot. Bonds3

About 2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene

2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene (PubChem CID 11424515) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene
PubChem CID11424515
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1C1C=CCCC1
InChIInChI=1S/C14H18O2/c1-15-12-9-6-10-13(16-2)14(12)11-7-4-3-5-8-11/h4,6-7,9-11H,3,5,8H2,1-2H3
InChIKeyKNCVWGZUOBHEID-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-cyclohex-2-en-1-ylpyridine
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene?
The IUPAC name of 2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene (CID 11424515) is 2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene?
The canonical SMILES for 2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene is COc1cccc(OC)c1C1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene?
The InChIKey is KNCVWGZUOBHEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-15-12-9-6-10-13(16-2)14(12)11-7-4-3-5-8-11/h4,6-7,9-11H,3,5,8H2,1-2H3.
What are the key properties of 2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene?
2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene has a molecular weight of 218.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene is sourced from PubChem (CID 11424515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).