1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene

C16H18 — CID 175831665

IUPAC1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene
SMILES[2H]c1ccc(-c2ccc([2H])c(CC)c2)cc1CC
InChIInChI=1S/C16H18/c1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3/i7D,8D
InChIKeyRUNQGXYOXGYVOX-QTQOOCSTSA-N
MW212.33 g/mol
LogP4.48
Rot. Bonds3

About 1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene

1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene (PubChem CID 175831665) has the molecular formula C16H18 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene.

Molecular Properties

Compound Name1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene
PubChem CID175831665
Molecular FormulaC16H18
Molecular Weight212.33 g/mol
Exact Mass212.15
IUPAC Name1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene
SMILES[2H]c1ccc(-c2ccc([2H])c(CC)c2)cc1CC
InChIInChI=1S/C16H18/c1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3/i7D,8D
InChIKeyRUNQGXYOXGYVOX-QTQOOCSTSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
4-(3-ethylphenyl)-1-methyl-2-propylbenzene
CID 145461377
1-phenyl-3-propylbenzene
CID 4110465
CID 143725407
CID 143725407
2-octylazulene
CID 101406191
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
2-ethyl-4-methylazulene
CID 154376639
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
4-(3-ethylphenyl)-1,2-dimethoxybenzene
CID 67818138

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene?
The IUPAC name of 1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene (CID 175831665) is 1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene.
What is the SMILES notation for 1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene?
The canonical SMILES for 1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene is [2H]c1ccc(-c2ccc([2H])c(CC)c2)cc1CC.
What is the InChIKey of 1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene?
The InChIKey is RUNQGXYOXGYVOX-QTQOOCSTSA-N. The full InChI is InChI=1S/C16H18/c1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3/i7D,8D.
What are the key properties of 1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene?
1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene has a molecular weight of 212.33 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-4-(4-deuterio-3-ethylphenyl)-2-ethylbenzene is sourced from PubChem (CID 175831665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).