(E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol

C22H25ClO — CID 166807986

IUPAC(E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol
SMILESCCC1C/C(=C(/O)c2ccccc2-c2cccc(Cl)c2)CC(C)C1
InChIInChI=1S/C22H25ClO/c1-3-16-11-15(2)12-18(13-16)22(24)21-10-5-4-9-20(21)17-7-6-8-19(23)14-17/h4-10,14-16,24H,3,11-13H2,1-2H3/b22-18+
InChIKeyDWACTHGWBPSKEO-RELWKKBWSA-N
MW340.89 g/mol
LogP7.12
Rot. Bonds3

About (E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol

(E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol (PubChem CID 166807986) has the molecular formula C22H25ClO and a molecular weight of 340.89 g/mol. Its IUPAC name is (E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol.

Molecular Properties

Compound Name(E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol
PubChem CID166807986
Molecular FormulaC22H25ClO
Molecular Weight340.89 g/mol
Exact Mass340.16
IUPAC Name(E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol
SMILESCCC1C/C(=C(/O)c2ccccc2-c2cccc(Cl)c2)CC(C)C1
InChIInChI=1S/C22H25ClO/c1-3-16-11-15(2)12-18(13-16)22(24)21-10-5-4-9-20(21)17-7-6-8-19(23)14-17/h4-10,14-16,24H,3,11-13H2,1-2H3/b22-18+
InChIKeyDWACTHGWBPSKEO-RELWKKBWSA-N
XLogP7.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.89
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol?
The IUPAC name of (E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol (CID 166807986) is (E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol.
What is the SMILES notation for (E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol?
The canonical SMILES for (E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol is CCC1C/C(=C(/O)c2ccccc2-c2cccc(Cl)c2)CC(C)C1.
What is the InChIKey of (E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol?
The InChIKey is DWACTHGWBPSKEO-RELWKKBWSA-N. The full InChI is InChI=1S/C22H25ClO/c1-3-16-11-15(2)12-18(13-16)22(24)21-10-5-4-9-20(21)17-7-6-8-19(23)14-17/h4-10,14-16,24H,3,11-13H2,1-2H3/b22-18+.
What are the key properties of (E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol?
(E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol has a molecular weight of 340.89 g/mol, XLogP of 7.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[2-(3-chlorophenyl)phenyl]-(3-ethyl-5-methylcyclohexylidene)methanol is sourced from PubChem (CID 166807986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).