(E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one

C21H20Cl2O — CID 23508869

IUPAC(E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cc(Cl)cc(Cl)c1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H20Cl2O/c22-19-12-15(13-20(23)14-19)6-11-21(24)18-9-7-17(8-10-18)16-4-2-1-3-5-16/h6-14,16H,1-5H2/b11-6+
InChIKeyDRVQOMXOJPYTLG-IZZDOVSWSA-N
MW359.30 g/mol
LogP6.94
Rot. Bonds4

About (E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one

(E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one (PubChem CID 23508869) has the molecular formula C21H20Cl2O and a molecular weight of 359.30 g/mol. Its IUPAC name is (E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one
PubChem CID23508869
Molecular FormulaC21H20Cl2O
Molecular Weight359.30 g/mol
Exact Mass358.09
IUPAC Name(E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cc(Cl)cc(Cl)c1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H20Cl2O/c22-19-12-15(13-20(23)14-19)6-11-21(24)18-9-7-17(8-10-18)16-4-2-1-3-5-16/h6-14,16H,1-5H2/b11-6+
InChIKeyDRVQOMXOJPYTLG-IZZDOVSWSA-N
XLogP6.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.30
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-chloro-4-methoxyphenyl)-1-(4-cyclohexylphenyl)prop-2-en-1-one
CID 6054637
(E)-3-(3,5-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 138963100
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-cyclohexylphenyl)prop-2-en-1-one
CID 16649181
(E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1472918
2-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 4749941
(E)-4-(4-cyclohexylphenyl)but-3-en-2-one
CID 124662300
N-[3-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]phenyl]-4-methoxybenzamide
CID 4831195
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
(E)-3-(3,5-dichlorophenyl)prop-2-enoic acid
CID 6442148
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
(E)-3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5377001
(E)-1-(4-cyclohexylphenyl)-4-(4-methylpiperazin-1-yl)but-2-ene-1,4-dione
CID 150928682

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one (CID 23508869) is (E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one is O=C(/C=C/c1cc(Cl)cc(Cl)c1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one?
The InChIKey is DRVQOMXOJPYTLG-IZZDOVSWSA-N. The full InChI is InChI=1S/C21H20Cl2O/c22-19-12-15(13-20(23)14-19)6-11-21(24)18-9-7-17(8-10-18)16-4-2-1-3-5-16/h6-14,16H,1-5H2/b11-6+.
What are the key properties of (E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one?
(E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one has a molecular weight of 359.30 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 23508869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).