3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol

C15H18Cl2O — CID 65174607

IUPAC3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(Cc2c(Cl)cccc2Cl)=CC(O)C1
InChIInChI=1S/C15H18Cl2O/c1-15(2)8-10(6-11(18)9-15)7-12-13(16)4-3-5-14(12)17/h3-6,11,18H,7-9H2,1-2H3
InChIKeyAGJPLHWURGYJKB-UHFFFAOYSA-N
MW285.21 g/mol
LogP4.64
Rot. Bonds2

About 3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol

3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 65174607) has the molecular formula C15H18Cl2O and a molecular weight of 285.21 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID65174607
Molecular FormulaC15H18Cl2O
Molecular Weight285.21 g/mol
Exact Mass284.07
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(Cc2c(Cl)cccc2Cl)=CC(O)C1
InChIInChI=1S/C15H18Cl2O/c1-15(2)8-10(6-11(18)9-15)7-12-13(16)4-3-5-14(12)17/h3-6,11,18H,7-9H2,1-2H3
InChIKeyAGJPLHWURGYJKB-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol (CID 65174607) is 3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol is CC1(C)CC(Cc2c(Cl)cccc2Cl)=CC(O)C1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is AGJPLHWURGYJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O/c1-15(2)8-10(6-11(18)9-15)7-12-13(16)4-3-5-14(12)17/h3-6,11,18H,7-9H2,1-2H3.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol?
3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 285.21 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 65174607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).