(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol

C23H27ClFNO — CID 22643038

IUPAC(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
SMILESCc1cc(C2(O)/C(=C\c3ccc(Cl)cc3)CCCC2CN(C)C)ccc1F
InChIInChI=1S/C23H27ClFNO/c1-16-13-19(9-12-22(16)25)23(27)18(5-4-6-20(23)15-26(2)3)14-17-7-10-21(24)11-8-17/h7-14,20,27H,4-6,15H2,1-3H3/b18-14-
InChIKeySXSMAFWDMPIWGH-JXAWBTAJSA-N
MW387.93 g/mol
LogP5.42
Rot. Bonds4

About (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol

(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol (PubChem CID 22643038) has the molecular formula C23H27ClFNO and a molecular weight of 387.93 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
PubChem CID22643038
Molecular FormulaC23H27ClFNO
Molecular Weight387.93 g/mol
Exact Mass387.18
IUPAC Name(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
SMILESCc1cc(C2(O)/C(=C\c3ccc(Cl)cc3)CCCC2CN(C)C)ccc1F
InChIInChI=1S/C23H27ClFNO/c1-16-13-19(9-12-22(16)25)23(27)18(5-4-6-20(23)15-26(2)3)14-17-7-10-21(24)11-8-17/h7-14,20,27H,4-6,15H2,1-3H3/b18-14-
InChIKeySXSMAFWDMPIWGH-JXAWBTAJSA-N
XLogP5.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.93
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol?
The IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol (CID 22643038) is (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol is Cc1cc(C2(O)/C(=C\c3ccc(Cl)cc3)CCCC2CN(C)C)ccc1F.
What is the InChIKey of (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol?
The InChIKey is SXSMAFWDMPIWGH-JXAWBTAJSA-N. The full InChI is InChI=1S/C23H27ClFNO/c1-16-13-19(9-12-22(16)25)23(27)18(5-4-6-20(23)15-26(2)3)14-17-7-10-21(24)11-8-17/h7-14,20,27H,4-6,15H2,1-3H3/b18-14-.
What are the key properties of (2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol?
(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol has a molecular weight of 387.93 g/mol, XLogP of 5.42, 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-(4-fluoro-3-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 22643038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).