1-(3-methylbut-3-enyl)-3-phenylbenzene

C17H18 — CID 143843043

IUPAC1-(3-methylbut-3-enyl)-3-phenylbenzene
SMILESC=C(C)CCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H18/c1-14(2)11-12-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,1,11-12H2,2H3
InChIKeyWZOARTGUHOWOPF-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.86
Rot. Bonds4

About 1-(3-methylbut-3-enyl)-3-phenylbenzene

1-(3-methylbut-3-enyl)-3-phenylbenzene (PubChem CID 143843043) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3-methylbut-3-enyl)-3-phenylbenzene.

Molecular Properties

Compound Name1-(3-methylbut-3-enyl)-3-phenylbenzene
PubChem CID143843043
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-(3-methylbut-3-enyl)-3-phenylbenzene
SMILESC=C(C)CCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H18/c1-14(2)11-12-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,1,11-12H2,2H3
InChIKeyWZOARTGUHOWOPF-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
1-phenyl-3-propylbenzene
CID 4110465
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
3-(3-phenylphenyl)propan-1-amine
CID 68886504
1-(4-methylpentyl)-3-phenylbenzene
CID 19790542
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
N-chloro-2-(3-phenylphenyl)ethanamine
CID 88912569
4-(3-phenylphenyl)butan-1-amine
CID 117324209
(4S)-7-(3-phenylphenyl)hept-2-en-4-ol
CID 91174797
but-2-enylbenzene;3-methylbut-3-enylbenzene
CID 157229371
ethyl 5-(3-phenylphenyl)pentanoate
CID 146915917
(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid
CID 82544146

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-3-enyl)-3-phenylbenzene?
The IUPAC name of 1-(3-methylbut-3-enyl)-3-phenylbenzene (CID 143843043) is 1-(3-methylbut-3-enyl)-3-phenylbenzene.
What is the SMILES notation for 1-(3-methylbut-3-enyl)-3-phenylbenzene?
The canonical SMILES for 1-(3-methylbut-3-enyl)-3-phenylbenzene is C=C(C)CCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(3-methylbut-3-enyl)-3-phenylbenzene?
The InChIKey is WZOARTGUHOWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-14(2)11-12-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,1,11-12H2,2H3.
What are the key properties of 1-(3-methylbut-3-enyl)-3-phenylbenzene?
1-(3-methylbut-3-enyl)-3-phenylbenzene has a molecular weight of 222.33 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-3-enyl)-3-phenylbenzene is sourced from PubChem (CID 143843043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).