1,3,5-trimethyl-2-phenylmethoxybenzene

C16H18O — CID 563476

IUPAC1,3,5-trimethyl-2-phenylmethoxybenzene
SMILESCc1cc(C)c(OCc2ccccc2)c(C)c1
InChIInChI=1S/C16H18O/c1-12-9-13(2)16(14(3)10-12)17-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
InChIKeyLRDRIZQHBIVHEQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.19
Rot. Bonds3

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

1,3,5-trimethyl-2-phenylmethoxybenzene (PubChem CID 563476) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-phenylmethoxybenzene
PubChem CID563476
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1,3,5-trimethyl-2-phenylmethoxybenzene
SMILESCc1cc(C)c(OCc2ccccc2)c(C)c1
InChIInChI=1S/C16H18O/c1-12-9-13(2)16(14(3)10-12)17-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
InChIKeyLRDRIZQHBIVHEQ-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3,5-trimethyl-2-phenylmethoxybenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-phenylmethoxybenzene?
The IUPAC name of 1,3,5-trimethyl-2-phenylmethoxybenzene (CID 563476) is 1,3,5-trimethyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1,3,5-trimethyl-2-phenylmethoxybenzene?
The canonical SMILES for 1,3,5-trimethyl-2-phenylmethoxybenzene is Cc1cc(C)c(OCc2ccccc2)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-phenylmethoxybenzene?
The InChIKey is LRDRIZQHBIVHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-12-9-13(2)16(14(3)10-12)17-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-2-phenylmethoxybenzene?
1,3,5-trimethyl-2-phenylmethoxybenzene has a molecular weight of 226.32 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-phenylmethoxybenzene is sourced from PubChem (CID 563476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).