1-[deuterio(phenyl)methyl]-4-ethylbenzene

C15H16 — CID 173307863

IUPAC1-[deuterio(phenyl)methyl]-4-ethylbenzene
SMILES[2H]C(c1ccccc1)c1ccc(CC)cc1
InChIInChI=1S/C15H16/c1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3/i12D
InChIKeyHSHDPVRGPKOGME-UQBWLURTSA-N
MW197.30 g/mol
LogP3.84
Rot. Bonds3

About 1-[deuterio(phenyl)methyl]-4-ethylbenzene

1-[deuterio(phenyl)methyl]-4-ethylbenzene (PubChem CID 173307863) has the molecular formula C15H16 and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-[deuterio(phenyl)methyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[deuterio(phenyl)methyl]-4-ethylbenzene
PubChem CID173307863
Molecular FormulaC15H16
Molecular Weight197.30 g/mol
Exact Mass197.13
IUPAC Name1-[deuterio(phenyl)methyl]-4-ethylbenzene
SMILES[2H]C(c1ccccc1)c1ccc(CC)cc1
InChIInChI=1S/C15H16/c1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3/i12D
InChIKeyHSHDPVRGPKOGME-UQBWLURTSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethylcyclodecapentaene
CID 90861705
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
ethylbenzene;propane;hydroiodide
CID 142182216
ethane;ethylbenzene;propane
CID 91199618
1-benzyl-4-ethylbenzene;methane
CID 144571765
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
acetylene;ethylbenzene;propane
CID 143490350
ethylbenzene;N-methylmethanamine
CID 19063869
ethane;ethylbenzene;methanol
CID 90833594
ethylazanium;ethylbenzene
CID 163634184

Frequently Asked Questions

What is the IUPAC name of 1-[deuterio(phenyl)methyl]-4-ethylbenzene?
The IUPAC name of 1-[deuterio(phenyl)methyl]-4-ethylbenzene (CID 173307863) is 1-[deuterio(phenyl)methyl]-4-ethylbenzene.
What is the SMILES notation for 1-[deuterio(phenyl)methyl]-4-ethylbenzene?
The canonical SMILES for 1-[deuterio(phenyl)methyl]-4-ethylbenzene is [2H]C(c1ccccc1)c1ccc(CC)cc1.
What is the InChIKey of 1-[deuterio(phenyl)methyl]-4-ethylbenzene?
The InChIKey is HSHDPVRGPKOGME-UQBWLURTSA-N. The full InChI is InChI=1S/C15H16/c1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3/i12D.
What are the key properties of 1-[deuterio(phenyl)methyl]-4-ethylbenzene?
1-[deuterio(phenyl)methyl]-4-ethylbenzene has a molecular weight of 197.30 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[deuterio(phenyl)methyl]-4-ethylbenzene is sourced from PubChem (CID 173307863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).