1-(1-phenylpropan-2-yl)-4-propylbenzene

C18H22 — CID 57021691

IUPAC1-(1-phenylpropan-2-yl)-4-propylbenzene
SMILESCCCc1ccc(C(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H22/c1-3-7-16-10-12-18(13-11-16)15(2)14-17-8-5-4-6-9-17/h4-6,8-13,15H,3,7,14H2,1-2H3
InChIKeyRYPKVOWQCLKTQG-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.99
Rot. Bonds5

About 1-(1-phenylpropan-2-yl)-4-propylbenzene

1-(1-phenylpropan-2-yl)-4-propylbenzene (PubChem CID 57021691) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(1-phenylpropan-2-yl)-4-propylbenzene.

Molecular Properties

Compound Name1-(1-phenylpropan-2-yl)-4-propylbenzene
PubChem CID57021691
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-(1-phenylpropan-2-yl)-4-propylbenzene
SMILESCCCc1ccc(C(C)Cc2ccccc2)cc1
InChIInChI=1S/C18H22/c1-3-7-16-10-12-18(13-11-16)15(2)14-17-8-5-4-6-9-17/h4-6,8-13,15H,3,7,14H2,1-2H3
InChIKeyRYPKVOWQCLKTQG-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene
CID 139753489
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1,4-bis(2-phenylpropyl)benzene
CID 19376086
1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
CID 21052564
1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
propylbenzene;hydrobromide
CID 70024036
propylbenzene tetraiodide
CID 23321652
cumene;ethane;methane;propylbenzene
CID 142505404

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropan-2-yl)-4-propylbenzene?
The IUPAC name of 1-(1-phenylpropan-2-yl)-4-propylbenzene (CID 57021691) is 1-(1-phenylpropan-2-yl)-4-propylbenzene.
What is the SMILES notation for 1-(1-phenylpropan-2-yl)-4-propylbenzene?
The canonical SMILES for 1-(1-phenylpropan-2-yl)-4-propylbenzene is CCCc1ccc(C(C)Cc2ccccc2)cc1.
What is the InChIKey of 1-(1-phenylpropan-2-yl)-4-propylbenzene?
The InChIKey is RYPKVOWQCLKTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-3-7-16-10-12-18(13-11-16)15(2)14-17-8-5-4-6-9-17/h4-6,8-13,15H,3,7,14H2,1-2H3.
What are the key properties of 1-(1-phenylpropan-2-yl)-4-propylbenzene?
1-(1-phenylpropan-2-yl)-4-propylbenzene has a molecular weight of 238.37 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropan-2-yl)-4-propylbenzene is sourced from PubChem (CID 57021691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).