1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene

C18H20 — CID 54101312

IUPAC1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene
SMILESCC(=Cc1ccccc1)c1ccccc1C(C)C
InChIInChI=1S/C18H20/c1-14(2)17-11-7-8-12-18(17)15(3)13-16-9-5-4-6-10-16/h4-14H,1-3H3
InChIKeyNARSHANOAVKMRB-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.37
Rot. Bonds3

About 1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene

1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene (PubChem CID 54101312) 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)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene
PubChem CID54101312
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene
SMILESCC(=Cc1ccccc1)c1ccccc1C(C)C
InChIInChI=1S/C18H20/c1-14(2)17-11-7-8-12-18(17)15(3)13-16-9-5-4-6-10-16/h4-14H,1-3H3
InChIKeyNARSHANOAVKMRB-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.37
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-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene
CID 147553319
1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421
ethane;1-[(2E)-4-methylpenta-2,4-dien-2-yl]-2-propan-2-ylbenzene
CID 142104911
1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 18968417
carbon monoxide;iron;2-methylprop-1-enylbenzene
CID 10945570
4-(2-phenylprop-1-enyl)-2-propan-2-ylphenol
CID 90758249
2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan
CID 173398472
N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline
CID 69047473
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene
CID 91348140
(3-benzylidene-4-phenylpentan-2-yl)benzene
CID 10781434
2-propan-2-ylphenol;styrene
CID 161412520

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene?
The IUPAC name of 1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene (CID 54101312) is 1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene?
The canonical SMILES for 1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene is CC(=Cc1ccccc1)c1ccccc1C(C)C.
What is the InChIKey of 1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene?
The InChIKey is NARSHANOAVKMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-14(2)17-11-7-8-12-18(17)15(3)13-16-9-5-4-6-10-16/h4-14H,1-3H3.
What are the key properties of 1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene?
1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene has a molecular weight of 236.36 g/mol, XLogP of 5.37, 3 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)-2-propan-2-ylbenzene is sourced from PubChem (CID 54101312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).