1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene

C15H19ClO — CID 46176896

IUPAC1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene
SMILESCOC(CC1=CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClO/c1-17-15(11-12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h5,7-10,15H,2-4,6,11H2,1H3
InChIKeyXDIDJEXDRCXACF-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.92
Rot. Bonds4

About 1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene

1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene (PubChem CID 46176896) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene
PubChem CID46176896
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene
SMILESCOC(CC1=CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClO/c1-17-15(11-12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h5,7-10,15H,2-4,6,11H2,1H3
InChIKeyXDIDJEXDRCXACF-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.92
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

1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660033
1-(4-chloro-3-methoxyphenyl)-2-(cyclohexen-1-yl)-N-methylethanamine
CID 116661458
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 116661110
1-(5-chloro-2-methoxyphenyl)-3-(cyclohexen-1-yl)propan-2-amine
CID 116661242
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine
CID 167921657
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 116661553
1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine
CID 116661307
1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660093
1-(cyclohexen-1-yl)-5-methoxypentan-2-amine
CID 114857019
2-(4-chlorophenoxy)-N-(cyclohexen-1-ylmethyl)butanamide
CID 133207915
2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 116661815

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene?
The IUPAC name of 1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene (CID 46176896) is 1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene?
The canonical SMILES for 1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene is COC(CC1=CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene?
The InChIKey is XDIDJEXDRCXACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-17-15(11-12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h5,7-10,15H,2-4,6,11H2,1H3.
What are the key properties of 1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene?
1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene has a molecular weight of 250.77 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene is sourced from PubChem (CID 46176896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).