4-phenylbutan-2-ylbenzene

C16H18 — CID 15203

IUPAC4-phenylbutan-2-ylbenzene
SMILESCC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeyPDINXYLAVFUHSA-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.42
Rot. Bonds4

About 4-phenylbutan-2-ylbenzene

4-phenylbutan-2-ylbenzene (PubChem CID 15203) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-phenylbutan-2-ylbenzene.

Molecular Properties

Compound Name4-phenylbutan-2-ylbenzene
PubChem CID15203
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name4-phenylbutan-2-ylbenzene
SMILESCC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeyPDINXYLAVFUHSA-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
P-Cymene
CID 7463
Cumene
CID 7406
Butylbenzene
CID 7705
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Tert-Butylbenzene
CID 7366
M-Terphenyl
CID 7076
4-tert-Butyltoluene
CID 7390

Frequently Asked Questions

What is the IUPAC name of 4-phenylbutan-2-ylbenzene?
The IUPAC name of 4-phenylbutan-2-ylbenzene (CID 15203) is 4-phenylbutan-2-ylbenzene.
What is the SMILES notation for 4-phenylbutan-2-ylbenzene?
The canonical SMILES for 4-phenylbutan-2-ylbenzene is CC(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 4-phenylbutan-2-ylbenzene?
The InChIKey is PDINXYLAVFUHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3.
What are the key properties of 4-phenylbutan-2-ylbenzene?
4-phenylbutan-2-ylbenzene has a molecular weight of 210.32 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbutan-2-ylbenzene is sourced from PubChem (CID 15203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).