1-ethyl-3-(1-phenylpropan-2-yl)benzene

C17H20 — CID 91139007

IUPAC1-ethyl-3-(1-phenylpropan-2-yl)benzene
SMILESCCc1cccc(C(C)Cc2ccccc2)c1
InChIInChI=1S/C17H20/c1-3-15-10-7-11-17(13-15)14(2)12-16-8-5-4-6-9-16/h4-11,13-14H,3,12H2,1-2H3
InChIKeyWUUAVZRLYVFLBR-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.60
Rot. Bonds4

About 1-ethyl-3-(1-phenylpropan-2-yl)benzene

1-ethyl-3-(1-phenylpropan-2-yl)benzene (PubChem CID 91139007) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-ethyl-3-(1-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Name1-ethyl-3-(1-phenylpropan-2-yl)benzene
PubChem CID91139007
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-ethyl-3-(1-phenylpropan-2-yl)benzene
SMILESCCc1cccc(C(C)Cc2ccccc2)c1
InChIInChI=1S/C17H20/c1-3-15-10-7-11-17(13-15)14(2)12-16-8-5-4-6-9-16/h4-11,13-14H,3,12H2,1-2H3
InChIKeyWUUAVZRLYVFLBR-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-3-ethylbenzene
CID 528681
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
1,4-bis(2-phenylpropyl)benzene
CID 19376086
2-(3-ethylphenyl)-N-methylpropan-1-amine
CID 105425624
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
1-benzyl-3-butan-2-ylbenzene
CID 15748559
1-decan-2-yl-3-ethylbenzene
CID 123801933
1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326643
4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol
CID 162462140
5-(3-ethylphenyl)hexane-1,1-diol
CID 142091114
1-ethyl-3-(2,2,2-trifluoro-1-phenylethyl)benzene
CID 57169339

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-phenylpropan-2-yl)benzene?
The IUPAC name of 1-ethyl-3-(1-phenylpropan-2-yl)benzene (CID 91139007) is 1-ethyl-3-(1-phenylpropan-2-yl)benzene.
What is the SMILES notation for 1-ethyl-3-(1-phenylpropan-2-yl)benzene?
The canonical SMILES for 1-ethyl-3-(1-phenylpropan-2-yl)benzene is CCc1cccc(C(C)Cc2ccccc2)c1.
What is the InChIKey of 1-ethyl-3-(1-phenylpropan-2-yl)benzene?
The InChIKey is WUUAVZRLYVFLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-3-15-10-7-11-17(13-15)14(2)12-16-8-5-4-6-9-16/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-3-(1-phenylpropan-2-yl)benzene?
1-ethyl-3-(1-phenylpropan-2-yl)benzene has a molecular weight of 224.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-phenylpropan-2-yl)benzene is sourced from PubChem (CID 91139007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).