1-but-1-en-2-yl-4-(3-chlorophenyl)benzene

C16H15Cl — CID 167132260

IUPAC1-but-1-en-2-yl-4-(3-chlorophenyl)benzene
SMILESC=C(CC)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15Cl/c1-3-12(2)13-7-9-14(10-8-13)15-5-4-6-16(17)11-15/h4-11H,2-3H2,1H3
InChIKeyPNVZYBYRAUKXIV-UHFFFAOYSA-N
MW242.75 g/mol
LogP5.43
Rot. Bonds3

About 1-but-1-en-2-yl-4-(3-chlorophenyl)benzene

1-but-1-en-2-yl-4-(3-chlorophenyl)benzene (PubChem CID 167132260) has the molecular formula C16H15Cl and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-(3-chlorophenyl)benzene.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-(3-chlorophenyl)benzene
PubChem CID167132260
Molecular FormulaC16H15Cl
Molecular Weight242.75 g/mol
Exact Mass242.09
IUPAC Name1-but-1-en-2-yl-4-(3-chlorophenyl)benzene
SMILESC=C(CC)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15Cl/c1-3-12(2)13-7-9-14(10-8-13)15-5-4-6-16(17)11-15/h4-11H,2-3H2,1H3
InChIKeyPNVZYBYRAUKXIV-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.75
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3-chlorophenyl)benzoate
CID 7021697
4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide
CID 172686182
1,3-bis(but-1-en-2-yl)benzene
CID 19692093
bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
CID 70610303
2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 10236331
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
4-(3-chlorophenyl)benzene-1,2-diamine
CID 13007821
3-(3-chlorophenyl)phenol;ethane
CID 142088616
1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine
CID 61227636
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570
1-[4-(3-chlorophenyl)phenyl]ethanamine
CID 43826632
4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene
CID 155108448

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-(3-chlorophenyl)benzene?
The IUPAC name of 1-but-1-en-2-yl-4-(3-chlorophenyl)benzene (CID 167132260) is 1-but-1-en-2-yl-4-(3-chlorophenyl)benzene.
What is the SMILES notation for 1-but-1-en-2-yl-4-(3-chlorophenyl)benzene?
The canonical SMILES for 1-but-1-en-2-yl-4-(3-chlorophenyl)benzene is C=C(CC)c1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-but-1-en-2-yl-4-(3-chlorophenyl)benzene?
The InChIKey is PNVZYBYRAUKXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl/c1-3-12(2)13-7-9-14(10-8-13)15-5-4-6-16(17)11-15/h4-11H,2-3H2,1H3.
What are the key properties of 1-but-1-en-2-yl-4-(3-chlorophenyl)benzene?
1-but-1-en-2-yl-4-(3-chlorophenyl)benzene has a molecular weight of 242.75 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-(3-chlorophenyl)benzene is sourced from PubChem (CID 167132260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).