1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene

C15H19ClO — CID 65174143

IUPAC1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene
SMILESCOc1ccccc1C1=CC(Cl)CC(C)(C)C1
InChIInChI=1S/C15H19ClO/c1-15(2)9-11(8-12(16)10-15)13-6-4-5-7-14(13)17-3/h4-8,12H,9-10H2,1-3H3
InChIKeyIDPOMLMTKJVSBB-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.51
Rot. Bonds2

About 1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene

1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene (PubChem CID 65174143) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene
PubChem CID65174143
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene
SMILESCOc1ccccc1C1=CC(Cl)CC(C)(C)C1
InChIInChI=1S/C15H19ClO/c1-15(2)9-11(8-12(16)10-15)13-6-4-5-7-14(13)17-3/h4-8,12H,9-10H2,1-3H3
InChIKeyIDPOMLMTKJVSBB-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene?
The IUPAC name of 1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene (CID 65174143) is 1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene.
What is the SMILES notation for 1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene?
The canonical SMILES for 1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene is COc1ccccc1C1=CC(Cl)CC(C)(C)C1.
What is the InChIKey of 1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene?
The InChIKey is IDPOMLMTKJVSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-15(2)9-11(8-12(16)10-15)13-6-4-5-7-14(13)17-3/h4-8,12H,9-10H2,1-3H3.
What are the key properties of 1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene?
1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene has a molecular weight of 250.77 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5,5-dimethylcyclohexen-1-yl)-2-methoxybenzene is sourced from PubChem (CID 65174143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).