1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene

C23H21ClO — CID 71377877

IUPAC1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene
SMILESCOc1ccc(CCC=C(c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H21ClO/c1-25-22-16-10-18(11-17-22)6-5-9-23(19-7-3-2-4-8-19)20-12-14-21(24)15-13-20/h2-4,7-17H,5-6H2,1H3
InChIKeyPBFCETPGLKXMRF-UHFFFAOYSA-N
MW348.87 g/mol
LogP6.41
Rot. Bonds6

About 1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene

1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene (PubChem CID 71377877) has the molecular formula C23H21ClO and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene
PubChem CID71377877
Molecular FormulaC23H21ClO
Molecular Weight348.87 g/mol
Exact Mass348.13
IUPAC Name1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene
SMILESCOc1ccc(CCC=C(c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H21ClO/c1-25-22-16-10-18(11-17-22)6-5-9-23(19-7-3-2-4-8-19)20-12-14-21(24)15-13-20/h2-4,7-17H,5-6H2,1H3
InChIKeyPBFCETPGLKXMRF-UHFFFAOYSA-N
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.87
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene
CID 11415775
1-chloro-4-[(E)-4-(2-methylphenyl)-1-phenylbut-1-enyl]benzene
CID 101266907
1-chloro-4-(3,3-diphenylprop-2-enyl)benzene
CID 174797148
(Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid
CID 66759556
[(E)-4-(4-chlorophenyl)-4-phenylbut-3-enyl] acetate
CID 102243525
anisole;1,4-dichlorobenzene
CID 175517246
(E)-5-(4-methoxyphenyl)-2-methylpent-2-en-1-ol
CID 10420524
ethyl (E)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoate
CID 131732159
(2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)-1-[4-(2-phenylethyl)phenyl]ethanone
CID 175404533
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
(E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine
CID 177429792

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene (CID 71377877) is 1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene is COc1ccc(CCC=C(c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene?
The InChIKey is PBFCETPGLKXMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClO/c1-25-22-16-10-18(11-17-22)6-5-9-23(19-7-3-2-4-8-19)20-12-14-21(24)15-13-20/h2-4,7-17H,5-6H2,1H3.
What are the key properties of 1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene?
1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene has a molecular weight of 348.87 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene is sourced from PubChem (CID 71377877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).