1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene

C16H18 — CID 158122818

IUPAC1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILES[2H]c1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18/c1-13-9-11-15(12-10-13)16(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3/i4D
InChIKeyNZQKAWXKMYCJDO-QYKNYGDISA-N
MW211.33 g/mol
LogP4.32
Rot. Bonds2

About 1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene

1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene (PubChem CID 158122818) has the molecular formula C16H18 and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene
PubChem CID158122818
Molecular FormulaC16H18
Molecular Weight211.33 g/mol
Exact Mass211.15
IUPAC Name1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILES[2H]c1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18/c1-13-9-11-15(12-10-13)16(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3/i4D
InChIKeyNZQKAWXKMYCJDO-QYKNYGDISA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1,1-bis(4-deuteriophenyl)ethyl]-4-methylbenzene
CID 158122819
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 20734477
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
CID 159232750
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1,3-xylene;1,4-xylene
CID 167696402
1-tert-butyl-4-methylbenzene
CID 163486601
2-phenylpropan-2-ylbenzene
CID 13065
1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
CID 159990763
1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159662015

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The IUPAC name of 1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene (CID 158122818) is 1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene is [2H]c1ccc(C(C)(C)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The InChIKey is NZQKAWXKMYCJDO-QYKNYGDISA-N. The full InChI is InChI=1S/C16H18/c1-13-9-11-15(12-10-13)16(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3/i4D.
What are the key properties of 1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene?
1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene has a molecular weight of 211.33 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 158122818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).