(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol

C18H24ClNO — CID 22642742

IUPAC(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol
SMILESC=CC1(O)/C(=C\c2ccc(Cl)cc2)CCCC1CN(C)C
InChIInChI=1S/C18H24ClNO/c1-4-18(21)15(6-5-7-16(18)13-20(2)3)12-14-8-10-17(19)11-9-14/h4,8-12,16,21H,1,5-7,13H2,2-3H3/b15-12-
InChIKeyHTSXFVFTSFRODH-QINSGFPZSA-N
MW305.85 g/mol
LogP4.00
Rot. Bonds4

About (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol

(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol (PubChem CID 22642742) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol
PubChem CID22642742
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol
SMILESC=CC1(O)/C(=C\c2ccc(Cl)cc2)CCCC1CN(C)C
InChIInChI=1S/C18H24ClNO/c1-4-18(21)15(6-5-7-16(18)13-20(2)3)12-14-8-10-17(19)11-9-14/h4,8-12,16,21H,1,5-7,13H2,2-3H3/b15-12-
InChIKeyHTSXFVFTSFRODH-QINSGFPZSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol?
The IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol (CID 22642742) is (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol.
What is the SMILES notation for (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol?
The canonical SMILES for (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol is C=CC1(O)/C(=C\c2ccc(Cl)cc2)CCCC1CN(C)C.
What is the InChIKey of (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol?
The InChIKey is HTSXFVFTSFRODH-QINSGFPZSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-4-18(21)15(6-5-7-16(18)13-20(2)3)12-14-8-10-17(19)11-9-14/h4,8-12,16,21H,1,5-7,13H2,2-3H3/b15-12-.
What are the key properties of (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol?
(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol has a molecular weight of 305.85 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol is sourced from PubChem (CID 22642742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).