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

C15H19ClO — CID 65174897

IUPAC3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(Cc2cccc(Cl)c2)=CC(O)C1
InChIInChI=1S/C15H19ClO/c1-15(2)9-12(8-14(17)10-15)6-11-4-3-5-13(16)7-11/h3-5,7-8,14,17H,6,9-10H2,1-2H3
InChIKeyWNHLEGWUJKMGIQ-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.99
Rot. Bonds2

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

3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 65174897) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID65174897
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(Cc2cccc(Cl)c2)=CC(O)C1
InChIInChI=1S/C15H19ClO/c1-15(2)9-12(8-14(17)10-15)6-11-4-3-5-13(16)7-11/h3-5,7-8,14,17H,6,9-10H2,1-2H3
InChIKeyWNHLEGWUJKMGIQ-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.99
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-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol (CID 65174897) is 3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol is CC1(C)CC(Cc2cccc(Cl)c2)=CC(O)C1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is WNHLEGWUJKMGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-15(2)9-12(8-14(17)10-15)6-11-4-3-5-13(16)7-11/h3-5,7-8,14,17H,6,9-10H2,1-2H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol?
3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 250.77 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 65174897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).