1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene

C15H20O — CID 167525299

IUPAC1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene
SMILESCOc1ccccc1C1=C(C)CCCC1C
InChIInChI=1S/C15H20O/c1-11-7-6-8-12(2)15(11)13-9-4-5-10-14(13)16-3/h4-5,9-11H,6-8H2,1-3H3
InChIKeyCXKVFFWKTUTAFG-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.29
Rot. Bonds2

About 1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene

1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene (PubChem CID 167525299) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene
PubChem CID167525299
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene
SMILESCOc1ccccc1C1=C(C)CCCC1C
InChIInChI=1S/C15H20O/c1-11-7-6-8-12(2)15(11)13-9-4-5-10-14(13)16-3/h4-5,9-11H,6-8H2,1-3H3
InChIKeyCXKVFFWKTUTAFG-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene?
The IUPAC name of 1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene (CID 167525299) is 1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene.
What is the SMILES notation for 1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene?
The canonical SMILES for 1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene is COc1ccccc1C1=C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene?
The InChIKey is CXKVFFWKTUTAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11-7-6-8-12(2)15(11)13-9-4-5-10-14(13)16-3/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of 1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene?
1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene has a molecular weight of 216.32 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene is sourced from PubChem (CID 167525299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).