1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen

C16H20 — CID 142077285

IUPAC1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
SMILESCCc1cccc(CCc2ccccc2)c1.[H][H]
InChIInChI=1S/C16H18.H2/c1-2-14-9-6-10-16(13-14)12-11-15-7-4-3-5-8-15;/h3-10,13H,2,11-12H2,1H3;1H
InChIKeyFPTQKNOJSKPTSV-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.28
Rot. Bonds4

About 1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen

1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen (PubChem CID 142077285) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen.

Molecular Properties

Compound Name1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
PubChem CID142077285
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
SMILESCCc1cccc(CCc2ccccc2)c1.[H][H]
InChIInChI=1S/C16H18.H2/c1-2-14-9-6-10-16(13-14)12-11-15-7-4-3-5-8-15;/h3-10,13H,2,11-12H2,1H3;1H
InChIKeyFPTQKNOJSKPTSV-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3-ethylphenyl)ethyl-diphenylphosphane
CID 150107410
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
ethylcyclodecapentaene
CID 90861705
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline
CID 14646517
1-ethyl-3-(2-tritylsulfanylethyl)benzene
CID 130222223
benzene;2-phenylethylbenzene
CID 18982764
1-ethyl-3-phenylbenzene;propane
CID 145466525
3-ethyl-5-(2-phenylethyl)benzoic acid
CID 142197554
ethane;1-ethyl-3-(3-methylbutyl)benzene
CID 143683822
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen?
The IUPAC name of 1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen (CID 142077285) is 1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen.
What is the SMILES notation for 1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen?
The canonical SMILES for 1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen is CCc1cccc(CCc2ccccc2)c1.[H][H].
What is the InChIKey of 1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen?
The InChIKey is FPTQKNOJSKPTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.H2/c1-2-14-9-6-10-16(13-14)12-11-15-7-4-3-5-8-15;/h3-10,13H,2,11-12H2,1H3;1H.
What are the key properties of 1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen?
1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen has a molecular weight of 212.34 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen is sourced from PubChem (CID 142077285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).