1-(1-phenylethyl)-4-propan-2-ylbenzene

C17H20 — CID 18506590

IUPAC1-(1-phenylethyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(C)c2ccccc2)cc1
InChIInChI=1S/C17H20/c1-13(2)15-9-11-17(12-10-15)14(3)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyGTIHEHGCHKJTCQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.96
Rot. Bonds3

About 1-(1-phenylethyl)-4-propan-2-ylbenzene

1-(1-phenylethyl)-4-propan-2-ylbenzene (PubChem CID 18506590) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(1-phenylethyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(1-phenylethyl)-4-propan-2-ylbenzene
PubChem CID18506590
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-(1-phenylethyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(C)c2ccccc2)cc1
InChIInChI=1S/C17H20/c1-13(2)15-9-11-17(12-10-15)14(3)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyGTIHEHGCHKJTCQ-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
P-Xylene
CID 7809
Perthane
CID 6295
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
M-Terphenyl
CID 7076
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734
Isobutylbenzene
CID 10870

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(1-phenylethyl)-4-propan-2-ylbenzene (CID 18506590) is 1-(1-phenylethyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(1-phenylethyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(1-phenylethyl)-4-propan-2-ylbenzene is CC(C)c1ccc(C(C)c2ccccc2)cc1.
What is the InChIKey of 1-(1-phenylethyl)-4-propan-2-ylbenzene?
The InChIKey is GTIHEHGCHKJTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-13(2)15-9-11-17(12-10-15)14(3)16-7-5-4-6-8-16/h4-14H,1-3H3.
What are the key properties of 1-(1-phenylethyl)-4-propan-2-ylbenzene?
1-(1-phenylethyl)-4-propan-2-ylbenzene has a molecular weight of 224.35 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 18506590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).