1,2-diphenyl-3-propan-2-ylbenzene

C21H20 — CID 20568657

IUPAC1,2-diphenyl-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H20/c1-16(2)19-14-9-15-20(17-10-5-3-6-11-17)21(19)18-12-7-4-8-13-18/h3-16H,1-2H3
InChIKeyVUKVFCNLNNZXOQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP6.14
Rot. Bonds3

About 1,2-diphenyl-3-propan-2-ylbenzene

1,2-diphenyl-3-propan-2-ylbenzene (PubChem CID 20568657) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,2-diphenyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1,2-diphenyl-3-propan-2-ylbenzene
PubChem CID20568657
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1,2-diphenyl-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H20/c1-16(2)19-14-9-15-20(17-10-5-3-6-11-17)21(19)18-12-7-4-8-13-18/h3-16H,1-2H3
InChIKeyVUKVFCNLNNZXOQ-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
2-methyl-6-(2-phenyl-3-propan-2-ylphenyl)naphthalene
CID 123434342
2-phenyl-3-propan-2-ylphenol
CID 54177325
2-methyl-3-phenyl-1,4-di(propan-2-yl)benzene
CID 154591625
isocyanic acid;1-phenyl-2-propan-2-ylbenzene
CID 174621079
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 101430775
3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole
CID 101405789
bis([2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide);nickel(2+);toluene
CID 139127962
3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1,2,5-tetraphenylsilole
CID 11988816
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-3-propan-2-ylbenzene?
The IUPAC name of 1,2-diphenyl-3-propan-2-ylbenzene (CID 20568657) is 1,2-diphenyl-3-propan-2-ylbenzene.
What is the SMILES notation for 1,2-diphenyl-3-propan-2-ylbenzene?
The canonical SMILES for 1,2-diphenyl-3-propan-2-ylbenzene is CC(C)c1cccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1,2-diphenyl-3-propan-2-ylbenzene?
The InChIKey is VUKVFCNLNNZXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-16(2)19-14-9-15-20(17-10-5-3-6-11-17)21(19)18-12-7-4-8-13-18/h3-16H,1-2H3.
What are the key properties of 1,2-diphenyl-3-propan-2-ylbenzene?
1,2-diphenyl-3-propan-2-ylbenzene has a molecular weight of 272.39 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-3-propan-2-ylbenzene is sourced from PubChem (CID 20568657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).