1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene

C24H25ClO — CID 18518445

IUPAC1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene
SMILESCCOc1ccc(C(c2ccc(Cl)cc2)C(CC)c2ccccc2)cc1
InChIInChI=1S/C24H25ClO/c1-3-23(18-8-6-5-7-9-18)24(19-10-14-21(25)15-11-19)20-12-16-22(17-13-20)26-4-2/h5-17,23-24H,3-4H2,1-2H3
InChIKeyPSSVJOVTDDDFMM-UHFFFAOYSA-N
MW364.92 g/mol
LogP7.06
Rot. Bonds7

About 1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene

1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene (PubChem CID 18518445) has the molecular formula C24H25ClO and a molecular weight of 364.92 g/mol. Its IUPAC name is 1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene
PubChem CID18518445
Molecular FormulaC24H25ClO
Molecular Weight364.92 g/mol
Exact Mass364.16
IUPAC Name1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene
SMILESCCOc1ccc(C(c2ccc(Cl)cc2)C(CC)c2ccccc2)cc1
InChIInChI=1S/C24H25ClO/c1-3-23(18-8-6-5-7-9-18)24(19-10-14-21(25)15-11-19)20-12-16-22(17-13-20)26-4-2/h5-17,23-24H,3-4H2,1-2H3
InChIKeyPSSVJOVTDDDFMM-UHFFFAOYSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[1-(4-chlorophenyl)-2-phenylbutyl]phenoxy]-N,N-dimethylethanamine
CID 70013344
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
[4-(4-ethoxyphenyl)phenyl] 2-chloro-3-phenylpentanoate
CID 54554351
bis[4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbutyl]phenyl] sulfate
CID 172991453
1-ethoxy-4-(1-phenylprop-2-enyl)benzene
CID 57277088
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
1-chloro-4-(2-methyl-1-phenylpropyl)benzene
CID 22890486
1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene
CID 55199898
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol
CID 123134411
ethoxybenzene chloride
CID 21193593

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene?
The IUPAC name of 1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene (CID 18518445) is 1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene?
The canonical SMILES for 1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene is CCOc1ccc(C(c2ccc(Cl)cc2)C(CC)c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene?
The InChIKey is PSSVJOVTDDDFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClO/c1-3-23(18-8-6-5-7-9-18)24(19-10-14-21(25)15-11-19)20-12-16-22(17-13-20)26-4-2/h5-17,23-24H,3-4H2,1-2H3.
What are the key properties of 1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene?
1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene has a molecular weight of 364.92 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene is sourced from PubChem (CID 18518445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).