1,3,5-trimethyl-2-phenylbenzene

C15H16 — CID 19876

IUPAC1,3,5-trimethyl-2-phenylbenzene
SMILESCc1cc(C)c(-c2ccccc2)c(C)c1
InChIInChI=1S/C15H16/c1-11-9-12(2)15(13(3)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyCDKUYUULLQLNFF-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.28
Rot. Bonds1

About 1,3,5-trimethyl-2-phenylbenzene

1,3,5-trimethyl-2-phenylbenzene (PubChem CID 19876) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-phenylbenzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-phenylbenzene
PubChem CID19876
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1,3,5-trimethyl-2-phenylbenzene
SMILESCc1cc(C)c(-c2ccccc2)c(C)c1
InChIInChI=1S/C15H16/c1-11-9-12(2)15(13(3)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyCDKUYUULLQLNFF-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-phenylbenzene?
The IUPAC name of 1,3,5-trimethyl-2-phenylbenzene (CID 19876) is 1,3,5-trimethyl-2-phenylbenzene.
What is the SMILES notation for 1,3,5-trimethyl-2-phenylbenzene?
The canonical SMILES for 1,3,5-trimethyl-2-phenylbenzene is Cc1cc(C)c(-c2ccccc2)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-phenylbenzene?
The InChIKey is CDKUYUULLQLNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-11-9-12(2)15(13(3)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3.
What are the key properties of 1,3,5-trimethyl-2-phenylbenzene?
1,3,5-trimethyl-2-phenylbenzene has a molecular weight of 196.29 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-phenylbenzene is sourced from PubChem (CID 19876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).