1-(1-phenylprop-1-en-2-yl)-4-propylbenzene

C18H20 — CID 57256038

IUPAC1-(1-phenylprop-1-en-2-yl)-4-propylbenzene
SMILESCCCc1ccc(C(C)=Cc2ccccc2)cc1
InChIInChI=1S/C18H20/c1-3-7-16-10-12-18(13-11-16)15(2)14-17-8-5-4-6-9-17/h4-6,8-14H,3,7H2,1-2H3
InChIKeyTZNZSETWMOMLNZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.20
Rot. Bonds4

About 1-(1-phenylprop-1-en-2-yl)-4-propylbenzene

1-(1-phenylprop-1-en-2-yl)-4-propylbenzene (PubChem CID 57256038) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(1-phenylprop-1-en-2-yl)-4-propylbenzene.

Molecular Properties

Compound Name1-(1-phenylprop-1-en-2-yl)-4-propylbenzene
PubChem CID57256038
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-(1-phenylprop-1-en-2-yl)-4-propylbenzene
SMILESCCCc1ccc(C(C)=Cc2ccccc2)cc1
InChIInChI=1S/C18H20/c1-3-7-16-10-12-18(13-11-16)15(2)14-17-8-5-4-6-9-17/h4-6,8-14H,3,7H2,1-2H3
InChIKeyTZNZSETWMOMLNZ-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene
CID 54383292
3-phenyl-1-(4-propylphenyl)prop-2-en-1-one
CID 162367124
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
4-[(Z)-1-phenylprop-1-en-2-yl]pyridine
CID 14770496
3-(4-propylphenyl)but-2-enenitrile
CID 76913920
[2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7229310
1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene
CID 70001014
2-methyl-1-(4-propylphenyl)prop-1-en-1-amine
CID 170745986
4-(2-phenylprop-1-enyl)phenol
CID 54547938
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
propylbenzene;hydrobromide
CID 70024036
propylbenzene tetraiodide
CID 23321652

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylprop-1-en-2-yl)-4-propylbenzene?
The IUPAC name of 1-(1-phenylprop-1-en-2-yl)-4-propylbenzene (CID 57256038) is 1-(1-phenylprop-1-en-2-yl)-4-propylbenzene.
What is the SMILES notation for 1-(1-phenylprop-1-en-2-yl)-4-propylbenzene?
The canonical SMILES for 1-(1-phenylprop-1-en-2-yl)-4-propylbenzene is CCCc1ccc(C(C)=Cc2ccccc2)cc1.
What is the InChIKey of 1-(1-phenylprop-1-en-2-yl)-4-propylbenzene?
The InChIKey is TZNZSETWMOMLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-3-7-16-10-12-18(13-11-16)15(2)14-17-8-5-4-6-9-17/h4-6,8-14H,3,7H2,1-2H3.
What are the key properties of 1-(1-phenylprop-1-en-2-yl)-4-propylbenzene?
1-(1-phenylprop-1-en-2-yl)-4-propylbenzene has a molecular weight of 236.36 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylprop-1-en-2-yl)-4-propylbenzene is sourced from PubChem (CID 57256038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).