1-ethyl-3-phenylbenzene;propane

C17H22 — CID 145466525

IUPAC1-ethyl-3-phenylbenzene;propane
SMILESCCC.CCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H14.C3H8/c1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13;1-3-2/h3-11H,2H2,1H3;3H2,1-2H3
InChIKeyZWVGLKGPBHTDDR-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.33
Rot. Bonds2

About 1-ethyl-3-phenylbenzene;propane

1-ethyl-3-phenylbenzene;propane (PubChem CID 145466525) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-ethyl-3-phenylbenzene;propane.

Molecular Properties

Compound Name1-ethyl-3-phenylbenzene;propane
PubChem CID145466525
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-ethyl-3-phenylbenzene;propane
SMILESCCC.CCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H14.C3H8/c1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13;1-3-2/h3-11H,2H2,1H3;3H2,1-2H3
InChIKeyZWVGLKGPBHTDDR-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-phenyl-3-propylbenzene
CID 4110465
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CID 138533012
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
4-(3-ethylphenyl)-2-phenylpyridine
CID 140601349
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
1,1'-biphenyl;ethylbenzene;naphthalene
CID 163537509
CID 143725407
CID 143725407
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine
CID 178022259
4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane
CID 142939514
ethylbenzene;propane;hydroiodide
CID 142182216

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenylbenzene;propane?
The IUPAC name of 1-ethyl-3-phenylbenzene;propane (CID 145466525) is 1-ethyl-3-phenylbenzene;propane.
What is the SMILES notation for 1-ethyl-3-phenylbenzene;propane?
The canonical SMILES for 1-ethyl-3-phenylbenzene;propane is CCC.CCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-ethyl-3-phenylbenzene;propane?
The InChIKey is ZWVGLKGPBHTDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C3H8/c1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13;1-3-2/h3-11H,2H2,1H3;3H2,1-2H3.
What are the key properties of 1-ethyl-3-phenylbenzene;propane?
1-ethyl-3-phenylbenzene;propane has a molecular weight of 226.36 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenylbenzene;propane is sourced from PubChem (CID 145466525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).